CID 9604771

2-(6-methyl-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-n-[(e)-m-tolylmethyleneamino]acetamide

Structural Information

Molecular Formula
C25H22N4O2S
SMILES
CC1=CC(=CC=C1)/C=N/NC(=O)CSC2=NC3=C(C=C(C=C3)C)C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2S/c1-17-7-6-8-19(13-17)15-26-28-23(30)16-32-25-27-22-12-11-18(2)14-21(22)24(31)29(25)20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,28,30)/b26-15+
InChIKey
MSRLZGHOJHYQAU-CVKSISIWSA-N
Compound name
2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.14636 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.15364 207.4
[M+Na]+ 465.13558 215.5
[M-H]- 441.13908 216.5
[M+NH4]+ 460.18018 215.2
[M+K]+ 481.10952 207.4
[M+H-H2O]+ 425.14362 195.5
[M+HCOO]- 487.14456 224.5
[M+CH3COO]- 501.16021 215.9
[M+Na-2H]- 463.12103 210.4
[M]+ 442.14581 211.6
[M]- 442.14691 211.6
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.