CID 137318193

54819-74-8

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
COC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=N)S2
InChI
InChI=1S/C12H13N3O3S/c1-18-8-4-2-7(3-5-8)14-10(16)6-9-11(17)15-12(13)19-9/h2-5,9H,6H2,1H3,(H,14,16)(H2,13,15,17)
InChIKey
JPOMCZUKXAJQDN-UHFFFAOYSA-N
Compound name
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.06775 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.075026 161.2
[M+Na]+ 302.056968 167.5
[M-H]- 278.060474 165.4
[M+NH4]+ 297.101573 176.7
[M+K]+ 318.030908 163.0
[M+H-H2O]+ 262.065010 153.9
[M+HCOO]- 324.065951 178.3
[M+CH3COO]- 338.081601 198.1
[M+Na-2H]- 300.042416 160.8
[M]+ 279.06720142 159.7
[M]- 279.06829858 159.7
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.