CID 16077090

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

Structural Information

Molecular Formula
C30H23FN4O3
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5)C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C30H23FN4O3/c31-22-14-12-20(13-15-22)28(36)30-35-26(24-6-1-2-7-27(24)38-30)17-25(34-35)19-8-10-21(11-9-19)29(37)33-18-23-5-3-4-16-32-23/h1-16,26,30H,17-18H2,(H,33,37)
InChIKey
CHKDREOCXAHUOE-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1754 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.18268 221.3
[M+Na]+ 529.16462 226.5
[M-H]- 505.16812 230.4
[M+NH4]+ 524.20922 223.9
[M+K]+ 545.13856 219.5
[M+H-H2O]+ 489.17266 206.5
[M+HCOO]- 551.17360 233.0
[M+CH3COO]- 565.18925 226.9
[M+Na-2H]- 527.15007 220.8
[M]+ 506.17485 219.3
[M]- 506.17595 219.3
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.