PubChemLite - Benzamide, n-cyclopentyl-4-[5-(4-fluorobenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]- (C29H26FN3O3)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F

InChI

InChI=1S/C29H26FN3O3/c30-21-15-13-19(14-16-21)27(34)29-33-25(23-7-3-4-8-26(23)36-29)17-24(32-33)18-9-11-20(12-10-18)28(35)31-22-5-1-2-6-22/h3-4,7-16,22,25,29H,1-2,5-6,17H2,(H,31,35)

InChIKey

MCNUBLYFDYYJAO-UHFFFAOYSA-N

Compound name

N-cyclopentyl-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]+	484.20311	213.8
[M+Na]+	506.18505	217.5
[M-H]-	482.18855	224.3
[M+NH4]+	501.22965	220.9
[M+K]+	522.15899	211.7
[M+H-H2O]+	466.19309	202.0
[M+HCOO]-	528.19403	225.8
[M+CH3COO]-	542.20968	220.2
[M+Na-2H]-	504.17050	208.9
[M]+	483.19528	209.6
[M]-	483.19638	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.20311

213.8

[M+Na]+

506.18505

217.5

[M-H]-

482.18855

224.3

[M+NH4]+

501.22965

220.9

[M+K]+

522.15899

211.7

[M+H-H2O]+

466.19309

202.0

[M+HCOO]-

528.19403

225.8

[M+CH3COO]-

542.20968

220.2

[M+Na-2H]-

504.17050

208.9

[M]+

483.19528

209.6

[M]-

483.19638

209.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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