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]+ 267.04341 156.6
[M+Na]+ 289.02535 164.2
[M-H]- 265.02885 161.2
[M+NH4]+ 284.06995 173.0
[M+K]+ 304.99929 160.6
[M+H-H2O]+ 249.03339 150.0
[M+HCOO]- 311.03433 173.4
[M+CH3COO]- 325.04998 192.1
[M+Na-2H]- 287.01080 156.2
[M]+ 266.03558 157.0
[M]- 266.03668 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.