PubChemLite - Benzamide, n-[3-(dimethylamino)propyl]-4-[5-(4-fluorobenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-n-methyl- (C30H31FN4O3)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN(C)C(=O)C1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN4O3/c1-33(2)17-6-18-34(3)29(37)22-11-9-20(10-12-22)25-19-26-24-7-4-5-8-27(24)38-30(35(26)32-25)28(36)21-13-15-23(31)16-14-21/h4-5,7-16,26,30H,6,17-19H2,1-3H3

InChIKey

DKIOWFJYTIKFTE-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-methylbenzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	515.24532	228.1
[M+Na]+	537.22726	231.5
[M-H]-	513.23076	237.7
[M+NH4]+	532.27186	233.4
[M+K]+	553.20120	227.9
[M+H-H2O]+	497.23530	214.7
[M+HCOO]-	559.23624	242.2
[M+CH3COO]-	573.25189	234.1
[M+Na-2H]-	535.21271	225.1
[M]+	514.23749	230.1
[M]-	514.23859	230.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.24532

228.1

[M+Na]+

537.22726

231.5

[M-H]-

513.23076

237.7

[M+NH4]+

532.27186

233.4

[M+K]+

553.20120

227.9

[M+H-H2O]+

497.23530

214.7

[M+HCOO]-

559.23624

242.2

[M+CH3COO]-

573.25189

234.1

[M+Na-2H]-

535.21271

225.1

[M]+

514.23749

230.1

[M]-

514.23859

230.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Benzamide, n-[3-(dimethylamino)propyl]-4-[5-(4-fluorobenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-n-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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