CID 376429

Nsc657343

Structural Information

Molecular Formula
C21H15N3O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H15N3O3/c25-16-12-10-15(11-13-16)20(26)23-24-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21(24)27/h1-13,25H,(H,23,26)
InChIKey
LVBQCQQKNQYJIH-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(4-oxo-2-phenylquinazolin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.11133 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11861 183.5
[M+Na]+ 380.10055 191.7
[M-H]- 356.10405 190.6
[M+NH4]+ 375.14515 192.7
[M+K]+ 396.07449 185.0
[M+H-H2O]+ 340.10859 172.2
[M+HCOO]- 402.10953 202.9
[M+CH3COO]- 416.12518 193.1
[M+Na-2H]- 378.08600 189.7
[M]+ 357.11078 183.0
[M]- 357.11188 183.0
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.