CID 3109980

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-n-(2-methylphenyl)acetamide

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
CC1=CC=CC=C1NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3S/c1-12-7-5-6-10-14(12)19-16(21)11-15-17(22)20(18(23)24-15)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H,19,21)
InChIKey
RKKBKFJEZACNKO-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

340.08817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.095446 179.0
[M+Na]+ 363.077388 186.5
[M-H]- 339.080894 187.9
[M+NH4]+ 358.121993 193.0
[M+K]+ 379.051328 181.1
[M+H-H2O]+ 323.085430 170.7
[M+HCOO]- 385.086371 196.3
[M+CH3COO]- 399.102021 210.4
[M+Na-2H]- 361.062836 177.1
[M]+ 340.08762142 180.2
[M]- 340.08871858 180.2
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.