CID 16077103

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

Structural Information

Molecular Formula
C29H21FN4O3
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)C(=O)NC5=CN=CC=C5)C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C29H21FN4O3/c30-21-13-11-19(12-14-21)27(35)29-34-25(23-5-1-2-6-26(23)37-29)16-24(33-34)18-7-9-20(10-8-18)28(36)32-22-4-3-15-31-17-22/h1-15,17,25,29H,16H2,(H,32,36)
InChIKey
WLOOOSBKSCEMFD-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.15976 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.16704 217.1
[M+Na]+ 515.14898 222.8
[M-H]- 491.15248 226.4
[M+NH4]+ 510.19358 220.3
[M+K]+ 531.12292 215.9
[M+H-H2O]+ 475.15702 202.5
[M+HCOO]- 537.15796 229.2
[M+CH3COO]- 551.17361 223.1
[M+Na-2H]- 513.13443 217.1
[M]+ 492.15921 214.8
[M]- 492.16031 214.8
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.