CID 16077093

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

Structural Information

Molecular Formula
C31H25FN4O3
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)C(=O)NCCC5=CC=CC=N5)C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C31H25FN4O3/c32-23-14-12-21(13-15-23)29(37)31-36-27(25-6-1-2-7-28(25)39-31)19-26(35-36)20-8-10-22(11-9-20)30(38)34-18-16-24-5-3-4-17-33-24/h1-15,17,27,31H,16,18-19H2,(H,34,38)
InChIKey
DKABPZRZFPLTTH-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.19104 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.19832 225.5
[M+Na]+ 543.18026 230.2
[M-H]- 519.18376 234.3
[M+NH4]+ 538.22486 227.5
[M+K]+ 559.15420 223.0
[M+H-H2O]+ 503.18830 210.5
[M+HCOO]- 565.18924 236.9
[M+CH3COO]- 579.20489 230.6
[M+Na-2H]- 541.16571 224.5
[M]+ 520.19049 223.7
[M]- 520.19159 223.7
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.