CID 9604770

N-[(e)-benzylideneamino]-2-(6-methyl-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c1-17-12-13-21-20(14-17)23(30)28(19-10-6-3-7-11-19)24(26-21)31-16-22(29)27-25-15-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,27,29)/b25-15+
InChIKey
VAXNTTOUKPIQPP-MFKUBSTISA-N
Compound name
N-[(E)-benzylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1307 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 202.1
[M+Na]+ 451.11992 209.9
[M-H]- 427.12342 211.0
[M+NH4]+ 446.16452 210.3
[M+K]+ 467.09386 201.9
[M+H-H2O]+ 411.12796 190.3
[M+HCOO]- 473.12890 219.7
[M+CH3COO]- 487.14455 210.8
[M+Na-2H]- 449.10537 206.4
[M]+ 428.13015 205.5
[M]- 428.13125 205.5
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.