CID 9604673

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

Structural Information

Molecular Formula
C25H22N4O3S
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC(=CC=C4)OC
InChI
InChI=1S/C25H22N4O3S/c1-17-11-12-22-21(13-17)24(31)29(19-8-4-3-5-9-19)25(27-22)33-16-23(30)28-26-15-18-7-6-10-20(14-18)32-2/h3-15H,16H2,1-2H3,(H,28,30)/b26-15+
InChIKey
DYPSVPKKXCYRHQ-CVKSISIWSA-N
Compound name
N-[(E)-(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

458.14127 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.14855 210.3
[M+Na]+ 481.13049 217.9
[M-H]- 457.13399 219.3
[M+NH4]+ 476.17509 217.2
[M+K]+ 497.10443 210.7
[M+H-H2O]+ 441.13853 198.1
[M+HCOO]- 503.13947 227.6
[M+CH3COO]- 517.15512 218.5
[M+Na-2H]- 479.11594 213.5
[M]+ 458.14072 215.7
[M]- 458.14182 215.7
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.