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]+ 341.09545 179.0
[M+Na]+ 363.07739 186.5
[M-H]- 339.08089 187.9
[M+NH4]+ 358.12199 193.0
[M+K]+ 379.05133 181.1
[M+H-H2O]+ 323.08543 170.7
[M+HCOO]- 385.08637 196.3
[M+CH3COO]- 399.10202 210.4
[M+Na-2H]- 361.06284 177.1
[M]+ 340.08762 180.2
[M]- 340.08872 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.