CID 135499648

4-[(2z)-2-(4-acetamidophenyl)imino-4-oxo-thiazolidin-5-yl]butanoic acid

Structural Information

Molecular Formula
C15H17N3O4S
SMILES
CC(=O)NC1=CC=C(C=C1)N=C2NC(=O)C(S2)CCCC(=O)O
InChI
InChI=1S/C15H17N3O4S/c1-9(19)16-10-5-7-11(8-6-10)17-15-18-14(22)12(23-15)3-2-4-13(20)21/h5-8,12H,2-4H2,1H3,(H,16,19)(H,20,21)(H,17,18,22)
InChIKey
MGFCOEZBYCRZLO-UHFFFAOYSA-N
Compound name
4-[2-(4-acetamidophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.09396 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10124 176.7
[M+Na]+ 358.08318 181.4
[M-H]- 334.08668 180.5
[M+NH4]+ 353.12778 189.7
[M+K]+ 374.05712 176.9
[M+H-H2O]+ 318.09122 169.0
[M+HCOO]- 380.09216 192.2
[M+CH3COO]- 394.10781 208.9
[M+Na-2H]- 356.06863 174.2
[M]+ 335.09341 176.3
[M]- 335.09451 176.3
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.