CID 9589021

Benzoic acid, ((4-(2-((benzoylamino)methyl)-4-oxo-3(4h)-quinazolinyl)phenyl)methylene)hydrazide

Structural Information

Molecular Formula
C30H23N5O3
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)/C=N/NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H23N5O3/c36-28(22-9-3-1-4-10-22)31-20-27-33-26-14-8-7-13-25(26)30(38)35(27)24-17-15-21(16-18-24)19-32-34-29(37)23-11-5-2-6-12-23/h1-19H,20H2,(H,31,36)(H,34,37)/b32-19+
InChIKey
FZHZBIBZHOVJRQ-BIZUNTBRSA-N
Compound name
N-[[3-[4-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-4-oxoquinazolin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.18008 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.18736 220.1
[M+Na]+ 524.16930 224.3
[M-H]- 500.17280 231.2
[M+NH4]+ 519.21390 222.7
[M+K]+ 540.14324 217.0
[M+H-H2O]+ 484.17734 205.2
[M+HCOO]- 546.17828 241.2
[M+CH3COO]- 560.19393 226.4
[M+Na-2H]- 522.15475 225.5
[M]+ 501.17953 219.5
[M]- 501.18063 219.5
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.