CID 2863741

Methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
COC(=O)C1=CC=C(C=C1)NC2C(=O)NC(=O)S2
InChI
InChI=1S/C11H10N2O4S/c1-17-10(15)6-2-4-7(5-3-6)12-9-8(14)13-11(16)18-9/h2-5,9,12H,1H3,(H,13,14,16)
InChIKey
ORKJQPIUBQIRGY-UHFFFAOYSA-N
Compound name
methyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.03613 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.043406 156.6
[M+Na]+ 289.025348 164.2
[M-H]- 265.028854 161.2
[M+NH4]+ 284.069953 173.0
[M+K]+ 304.999288 160.6
[M+H-H2O]+ 249.033390 150.0
[M+HCOO]- 311.034331 173.4
[M+CH3COO]- 325.049981 192.1
[M+Na-2H]- 287.010796 156.2
[M]+ 266.03558142 157.0
[M]- 266.03667858 157.0
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.