CID 16077121

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

Structural Information

Molecular Formula
C35H37N3O3
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C(=O)C3N4C(CC(=N4)C5=CC=C(C=C5)C(=O)NC6CCCC6)C7=CC=CC=C7O3
InChI
InChI=1S/C35H37N3O3/c39-33(26-18-14-24(15-19-26)23-8-2-1-3-9-23)35-38-31(29-12-6-7-13-32(29)41-35)22-30(37-38)25-16-20-27(21-17-25)34(40)36-28-10-4-5-11-28/h6-7,12-21,23,28,31,35H,1-5,8-11,22H2,(H,36,40)
InChIKey
ZKPPGBSVCCAMDP-UHFFFAOYSA-N
Compound name
4-[5-(4-cyclohexylbenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-cyclopentylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.2835 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.29078 228.2
[M+Na]+ 570.27272 227.1
[M-H]- 546.27622 240.8
[M+NH4]+ 565.31732 231.5
[M+K]+ 586.24666 221.1
[M+H-H2O]+ 530.28076 215.5
[M+HCOO]- 592.28170 235.8
[M+CH3COO]- 606.29735 231.8
[M+Na-2H]- 568.25817 220.0
[M]+ 547.28295 219.7
[M]- 547.28405 219.7
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.