CID 16077118

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

Structural Information

Molecular Formula
C33H34N4O4
SMILES
C1CCC(C1)NC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)N7CCOCC7
InChI
InChI=1S/C33H34N4O4/c38-31(23-13-15-26(16-14-23)36-17-19-40-20-18-36)33-37-29(27-7-3-4-8-30(27)41-33)21-28(35-37)22-9-11-24(12-10-22)32(39)34-25-5-1-2-6-25/h3-4,7-16,25,29,33H,1-2,5-6,17-21H2,(H,34,39)
InChIKey
QACAAAOVOHCBPB-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-[5-(4-morpholin-4-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

550.258 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.26528 225.6
[M+Na]+ 573.24722 225.4
[M-H]- 549.25072 238.0
[M+NH4]+ 568.29182 226.1
[M+K]+ 589.22116 221.3
[M+H-H2O]+ 533.25526 212.8
[M+HCOO]- 595.25620 231.8
[M+CH3COO]- 609.27185 229.3
[M+Na-2H]- 571.23267 218.5
[M]+ 550.25745 219.0
[M]- 550.25855 219.0
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.