CID 376417

Nsc657331

Structural Information

Molecular Formula
C21H16N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C21H16N4O2/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,22H2,(H,24,26)
InChIKey
JQXRTUBLYBFPGF-UHFFFAOYSA-N
Compound name
4-amino-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.12732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13460 184.1
[M+Na]+ 379.11654 192.2
[M-H]- 355.12004 192.0
[M+NH4]+ 374.16114 193.6
[M+K]+ 395.09048 185.2
[M+H-H2O]+ 339.12458 172.6
[M+HCOO]- 401.12552 205.3
[M+CH3COO]- 415.14117 193.8
[M+Na-2H]- 377.10199 190.4
[M]+ 356.12677 182.5
[M]- 356.12787 182.5
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.