CID 469037

N-(4-oxo-2-phenyl-quinazolin-3-yl)-2-phenylsulfanyl-acetamide

Structural Information

Molecular Formula
C22H17N3O2S
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CSC4=CC=CC=C4
InChI
InChI=1S/C22H17N3O2S/c26-20(15-28-17-11-5-2-6-12-17)24-25-21(16-9-3-1-4-10-16)23-19-14-8-7-13-18(19)22(25)27/h1-14H,15H2,(H,24,26)
InChIKey
GLKXGTQZYWDKTL-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-phenylquinazolin-3-yl)-2-phenylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.10416 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11144 189.8
[M+Na]+ 410.09338 197.8
[M-H]- 386.09688 197.5
[M+NH4]+ 405.13798 199.1
[M+K]+ 426.06732 190.0
[M+H-H2O]+ 370.10142 178.9
[M+HCOO]- 432.10236 205.6
[M+CH3COO]- 446.11801 199.0
[M+Na-2H]- 408.07883 194.6
[M]+ 387.10361 191.9
[M]- 387.10471 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.