CID 376420

Nsc657334

Structural Information

Molecular Formula
C21H14ClN3O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H14ClN3O2/c22-16-12-10-15(11-13-16)20(26)24-25-19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)21(25)27/h1-13H,(H,24,26)
InChIKey
KONACICBGKAJAG-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.07745 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08473 186.9
[M+Na]+ 398.06667 196.5
[M-H]- 374.07017 194.9
[M+NH4]+ 393.11127 197.1
[M+K]+ 414.04061 188.5
[M+H-H2O]+ 358.07471 175.7
[M+HCOO]- 420.07565 203.0
[M+CH3COO]- 434.09130 196.8
[M+Na-2H]- 396.05212 192.7
[M]+ 375.07690 189.2
[M]- 375.07800 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.