CID 9604674

6-methyl-3-phenyl-4(3h)-quinazolinone-2-ylmercapto-acetic acid 2,5-dimethoxybenzylidenhydrazide

Structural Information

Molecular Formula
C26H24N4O4S
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)OC)OC
InChI
InChI=1S/C26H24N4O4S/c1-17-9-11-22-21(13-17)25(32)30(19-7-5-4-6-8-19)26(28-22)35-16-24(31)29-27-15-18-14-20(33-2)10-12-23(18)34-3/h4-15H,16H2,1-3H3,(H,29,31)/b27-15+
InChIKey
DKDZEDFVDNSZCY-JFLMPSFJSA-N
Compound name
N-[(E)-(2,5-dimethoxyphenyl)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

488.15182 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15910 218.2
[M+Na]+ 511.14104 225.7
[M-H]- 487.14454 227.3
[M+NH4]+ 506.18564 223.9
[M+K]+ 527.11498 219.2
[M+H-H2O]+ 471.14908 205.7
[M+HCOO]- 533.15002 235.1
[M+CH3COO]- 547.16567 245.4
[M+Na-2H]- 509.12649 220.4
[M]+ 488.15127 225.6
[M]- 488.15237 225.6
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.