CID 9604679

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

Structural Information

Molecular Formula
C24H19ClN4O2S
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
InChI
InChI=1S/C24H19ClN4O2S/c1-16-7-12-21-20(13-16)23(31)29(19-5-3-2-4-6-19)24(27-21)32-15-22(30)28-26-14-17-8-10-18(25)11-9-17/h2-14H,15H2,1H3,(H,28,30)/b26-14+
InChIKey
ZOXCKNKDRAQDRT-VULFUBBASA-N
Compound name
N-[(E)-(4-chlorophenyl)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

462.09174 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.09902 208.8
[M+Na]+ 485.08096 217.9
[M-H]- 461.08446 217.8
[M+NH4]+ 480.12556 216.7
[M+K]+ 501.05490 209.1
[M+H-H2O]+ 445.08900 197.7
[M+HCOO]- 507.08994 221.8
[M+CH3COO]- 521.10559 217.3
[M+Na-2H]- 483.06641 211.8
[M]+ 462.09119 215.1
[M]- 462.09229 215.1
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.