PubChemLite - Benzamide, n-[2-(diethylamino)ethyl]-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

CCN(CC)CCNC(=O)C1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN4O3/c1-3-34(4-2)18-17-32-29(37)22-11-9-20(10-12-22)25-19-26-24-7-5-6-8-27(24)38-30(35(26)33-25)28(36)21-13-15-23(31)16-14-21/h5-16,26,30H,3-4,17-19H2,1-2H3,(H,32,37)

InChIKey

QMACVLHPJMDIHI-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]benzamide

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	227.5
[M+Na]+	537.22726	230.7
[M-H]-	513.23076	235.7
[M+NH4]+	532.27186	232.2
[M+K]+	553.20120	225.9
[M+H-H2O]+	497.23530	214.1
[M+HCOO]-	559.23624	241.1
[M+CH3COO]-	573.25189	233.0
[M+Na-2H]-	535.21271	225.2
[M]+	514.23749	228.3
[M]-	514.23859	228.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

515.24532

227.5

[M+Na]+

537.22726

230.7

[M-H]-

513.23076

235.7

[M+NH4]+

532.27186

232.2

[M+K]+

553.20120

225.9

[M+H-H2O]+

497.23530

214.1

[M+HCOO]-

559.23624

241.1

[M+CH3COO]-

573.25189

233.0

[M+Na-2H]-

535.21271

225.2

[M]+

514.23749

228.3

[M]-

514.23859

228.3

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

Benzamide, n-[2-(diethylamino)ethyl]-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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