CID 16077100

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

Structural Information

Molecular Formula
C31H24FN3O4
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C31H24FN3O4/c1-38-24-16-14-23(15-17-24)33-30(37)21-8-6-19(7-9-21)26-18-27-25-4-2-3-5-28(25)39-31(35(27)34-26)29(36)20-10-12-22(32)13-11-20/h2-17,27,31H,18H2,1H3,(H,33,37)
InChIKey
VZVKIMJCIFBRTH-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(4-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.1751 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.18238 225.8
[M+Na]+ 544.16432 231.0
[M-H]- 520.16782 236.4
[M+NH4]+ 539.20892 229.3
[M+K]+ 560.13826 225.3
[M+H-H2O]+ 504.17236 211.6
[M+HCOO]- 566.17330 238.6
[M+CH3COO]- 580.18895 231.7
[M+Na-2H]- 542.14977 224.2
[M]+ 521.17455 225.3
[M]- 521.17565 225.3
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.