CID 3509810

[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-3-methylanilino]acetic acid

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
CC1=CC(=CC=C1)N(CC(=O)O)C2C(=O)N(C(=O)S2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O4S/c1-12-6-5-9-14(10-12)19(11-15(21)22)17-16(23)20(18(24)25-17)13-7-3-2-4-8-13/h2-10,17H,11H2,1H3,(H,21,22)
InChIKey
SJOGEJDTFTVRCS-UHFFFAOYSA-N
Compound name
2-(N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-3-methylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.08307 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09035 181.5
[M+Na]+ 379.07229 188.2
[M-H]- 355.07579 190.5
[M+NH4]+ 374.11689 194.6
[M+K]+ 395.04623 184.2
[M+H-H2O]+ 339.08033 173.3
[M+HCOO]- 401.08127 197.9
[M+CH3COO]- 415.09692 214.1
[M+Na-2H]- 377.05774 178.9
[M]+ 356.08252 183.6
[M]- 356.08362 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.