CID 16077099

Benzamide, 4-[5-(4-fluorobenzoyl)-1,10b-dihydro-5h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-n-[(3,6-dimethoxyphenyl)methyl]-

Structural Information

Molecular Formula
C33H28FN3O5
SMILES
COC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C33H28FN3O5/c1-40-25-15-16-29(41-2)23(17-25)19-35-32(39)22-9-7-20(8-10-22)27-18-28-26-5-3-4-6-30(26)42-33(37(28)36-27)31(38)21-11-13-24(34)14-12-21/h3-17,28,33H,18-19H2,1-2H3,(H,35,39)
InChIKey
XPOZAPJWKACSQU-UHFFFAOYSA-N
Compound name
N-[(2,5-dimethoxyphenyl)methyl]-4-[5-(4-fluorobenzoyl)-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

565.2013 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.20858 237.8
[M+Na]+ 588.19052 242.5
[M-H]- 564.19402 248.3
[M+NH4]+ 583.23512 239.5
[M+K]+ 604.16446 237.5
[M+H-H2O]+ 548.19856 223.2
[M+HCOO]- 610.19950 249.8
[M+CH3COO]- 624.21515 242.9
[M+Na-2H]- 586.17597 234.7
[M]+ 565.20075 239.6
[M]- 565.20185 239.6
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.