CID 16077119

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

Structural Information

Molecular Formula
C34H36N4O3
SMILES
C1CCN(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/C34H36N4O3/c39-32(24-16-18-27(19-17-24)37-20-6-1-7-21-37)34-38-30(28-10-4-5-11-31(28)41-34)22-29(36-38)23-12-14-25(15-13-23)33(40)35-26-8-2-3-9-26/h4-5,10-19,26,30,34H,1-3,6-9,20-22H2,(H,35,40)
InChIKey
VHILORQZLHTYDA-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[5-(4-piperidin-1-ylbenzoyl)-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

548.27875 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.28603 227.1
[M+Na]+ 571.26797 226.3
[M-H]- 547.27147 238.6
[M+NH4]+ 566.31257 228.9
[M+K]+ 587.24191 220.2
[M+H-H2O]+ 531.27601 213.6
[M+HCOO]- 593.27695 233.7
[M+CH3COO]- 607.29260 230.3
[M+Na-2H]- 569.25342 219.3
[M]+ 548.27820 218.7
[M]- 548.27930 218.7
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.