CID 135491381

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

Structural Information

Molecular Formula
C25H22N4O4S
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)O)OC
InChI
InChI=1S/C25H22N4O4S/c1-16-8-10-20-19(12-16)24(32)29(18-6-4-3-5-7-18)25(27-20)34-15-23(31)28-26-14-17-9-11-21(30)22(13-17)33-2/h3-14,30H,15H2,1-2H3,(H,28,31)/b26-14+
InChIKey
LCHGZLVFZLUJJI-VULFUBBASA-N
Compound name
N-[(E)-(4-hydroxy-3-methoxyphenyl)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

474.13617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14345 213.1
[M+Na]+ 497.12539 220.7
[M-H]- 473.12889 221.1
[M+NH4]+ 492.16999 218.8
[M+K]+ 513.09933 213.7
[M+H-H2O]+ 457.13343 201.3
[M+HCOO]- 519.13437 229.0
[M+CH3COO]- 533.15002 240.6
[M+Na-2H]- 495.11084 215.6
[M]+ 474.13562 218.6
[M]- 474.13672 218.6
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.