CID 508092

3-(5-[(5-{5-chlorothiophen-2-yl}furan-2-yl)methylene]-4-oxo-2-thioxothiazolidin-3-yl)propionic acid

Structural Information

Molecular Formula
C15H10ClNO4S3
SMILES
C1=CSC(=C1Cl)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCC(=O)O
InChI
InChI=1S/C15H10ClNO4S3/c16-9-4-6-23-13(9)10-2-1-8(21-10)7-11-14(20)17(15(22)24-11)5-3-12(18)19/h1-2,4,6-7H,3,5H2,(H,18,19)
InChIKey
OWMPGZCHUYNQLU-UHFFFAOYSA-N
Compound name
3-[5-[[5-(3-chlorothiophen-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.94604 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.95332 193.3
[M+Na]+ 421.93526 205.7
[M-H]- 397.93876 203.1
[M+NH4]+ 416.97986 209.1
[M+K]+ 437.90920 199.1
[M+H-H2O]+ 381.94330 191.7
[M+HCOO]- 443.94424 197.1
[M+CH3COO]- 457.95989 204.1
[M+Na-2H]- 419.92071 185.8
[M]+ 398.94549 200.2
[M]- 398.94659 200.2
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.