CID 16077120

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

Structural Information

Molecular Formula
C30H29N3O4
SMILES
COC1=CC=C(C=C1)C(=O)C2N3C(CC(=N3)C4=CC=C(C=C4)C(=O)NC5CCCC5)C6=CC=CC=C6O2
InChI
InChI=1S/C30H29N3O4/c1-36-23-16-14-20(15-17-23)28(34)30-33-26(24-8-4-5-9-27(24)37-30)18-25(32-33)19-10-12-21(13-11-19)29(35)31-22-6-2-3-7-22/h4-5,8-17,22,26,30H,2-3,6-7,18H2,1H3,(H,31,35)
InChIKey
ONPRGIDLYISQGT-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[5-(4-methoxybenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.21582 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.22310 216.8
[M+Na]+ 518.20504 219.5
[M-H]- 494.20854 228.4
[M+NH4]+ 513.24964 223.2
[M+K]+ 534.17898 215.0
[M+H-H2O]+ 478.21308 205.7
[M+HCOO]- 540.21402 229.5
[M+CH3COO]- 554.22967 223.1
[M+Na-2H]- 516.19049 212.3
[M]+ 495.21527 215.0
[M]- 495.21637 215.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.