CID 135491384

6-methyl-3-phenyl-4(3h)-quinazolinone-2-ylmercapto-acetic acid 4-bromo-2-hydroxybenzylidenhydrazide

Structural Information

Molecular Formula
C24H19BrN4O3S
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N/N=C/C4=C(C=CC(=C4)Br)O
InChI
InChI=1S/C24H19BrN4O3S/c1-15-7-9-20-19(11-15)23(32)29(18-5-3-2-4-6-18)24(27-20)33-14-22(31)28-26-13-16-12-17(25)8-10-21(16)30/h2-13,30H,14H2,1H3,(H,28,31)/b26-13+
InChIKey
CKIPCWWISOIQNM-LGJNPRDNSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.03613 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.04341 203.7
[M+Na]+ 545.02535 213.9
[M-H]- 521.02885 213.7
[M+NH4]+ 540.06995 211.9
[M+K]+ 560.99929 199.3
[M+H-H2O]+ 505.03339 199.1
[M+HCOO]- 567.03433 217.7
[M+CH3COO]- 581.04998 213.5
[M+Na-2H]- 543.01080 208.1
[M]+ 522.03558 225.7
[M]- 522.03668 225.7
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.