CID 16077097

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

Structural Information

Molecular Formula
C32H26FN3O4
SMILES
COC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C32H26FN3O4/c1-39-28-8-4-2-6-23(28)19-34-31(38)22-12-10-20(11-13-22)26-18-27-25-7-3-5-9-29(25)40-32(36(27)35-26)30(37)21-14-16-24(33)17-15-21/h2-17,27,32H,18-19H2,1H3,(H,34,38)
InChIKey
MELDJLZFDODEIL-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-[(2-methoxyphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.19073 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.19801 230.0
[M+Na]+ 558.17995 234.8
[M-H]- 534.18345 240.4
[M+NH4]+ 553.22455 232.9
[M+K]+ 574.15389 228.9
[M+H-H2O]+ 518.18799 215.7
[M+HCOO]- 580.18893 242.5
[M+CH3COO]- 594.20458 235.5
[M+Na-2H]- 556.16540 227.9
[M]+ 535.19018 229.8
[M]- 535.19128 229.8
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.