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]+ 357.090346 181.5
[M+Na]+ 379.072288 188.2
[M-H]- 355.075794 190.5
[M+NH4]+ 374.116893 194.6
[M+K]+ 395.046228 184.2
[M+H-H2O]+ 339.080330 173.3
[M+HCOO]- 401.081271 197.9
[M+CH3COO]- 415.096921 214.1
[M+Na-2H]- 377.057736 178.9
[M]+ 356.08252142 183.6
[M]- 356.08361858 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.