CID 6447812

101018-66-0

Structural Information

Molecular Formula
C15H15ClN2O3S2
SMILES
CN(CCCl)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O
InChI
InChI=1S/C15H15ClN2O3S2/c1-17(7-6-16)11-4-2-10(3-5-11)8-12-14(21)18(9-13(19)20)15(22)23-12/h2-5,8H,6-7,9H2,1H3,(H,19,20)/b12-8+
InChIKey
WJUOBXPTJPOJLJ-XYOKQWHBSA-N
Compound name
2-[(5E)-5-[[4-[2-chloroethyl(methyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.02127 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.02855 183.8
[M+Na]+ 393.01049 192.8
[M+NH4]+ 388.05509 190.0
[M+K]+ 408.98443 185.1
[M-H]- 369.01399 185.4
[M+Na-2H]- 390.99594 186.1
[M]+ 370.02072 186.3
[M]- 370.02182 186.3
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.