CID 9604680

6-methyl-3-phenyl-4(3h)-quinazolinone-2-ylmercapto-acetic acid 3,4-dichlorobenzylidenhydrazide

Structural Information

Molecular Formula
C24H18Cl2N4O2S
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H18Cl2N4O2S/c1-15-7-10-21-18(11-15)23(32)30(17-5-3-2-4-6-17)24(28-21)33-14-22(31)29-27-13-16-8-9-19(25)20(26)12-16/h2-13H,14H2,1H3,(H,29,31)/b27-13+
InChIKey
YTRGLRGAWKTOJX-UVHMKAGCSA-N
Compound name
N-[(E)-(3,4-dichlorophenyl)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

496.05276 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.06004 213.8
[M+Na]+ 519.04198 223.9
[M-H]- 495.04548 222.4
[M+NH4]+ 514.08658 221.3
[M+K]+ 535.01592 214.8
[M+H-H2O]+ 479.05002 203.5
[M+HCOO]- 541.05096 221.8
[M+CH3COO]- 555.06661 221.9
[M+Na-2H]- 517.02743 215.5
[M]+ 496.05221 222.0
[M]- 496.05331 222.0
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.