CID 16077102

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

Structural Information

Molecular Formula
C32H26FN3O4
SMILES
CN(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C32H26FN3O4/c1-35(24-15-17-25(39-2)18-16-24)31(38)22-9-7-20(8-10-22)27-19-28-26-5-3-4-6-29(26)40-32(36(28)34-27)30(37)21-11-13-23(33)14-12-21/h3-18,28,32H,19H2,1-2H3
InChIKey
JMXBGUSISRSNBH-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(4-methoxyphenyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.19073 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.19801 230.6
[M+Na]+ 558.17995 235.4
[M-H]- 534.18345 242.3
[M+NH4]+ 553.22455 234.0
[M+K]+ 574.15389 230.8
[M+H-H2O]+ 518.18799 216.1
[M+HCOO]- 580.18893 243.4
[M+CH3COO]- 594.20458 236.5
[M+Na-2H]- 556.16540 227.7
[M]+ 535.19018 231.4
[M]- 535.19128 231.4
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.