CID 1351070

Smsf0008790

Structural Information

Molecular Formula
C14H14ClNO3S2
SMILES
CC(C)OC1=C(C=C(C=C1Cl)/C=C/2\C(=O)NC(=S)S2)OC
InChI
InChI=1S/C14H14ClNO3S2/c1-7(2)19-12-9(15)4-8(5-10(12)18-3)6-11-13(17)16-14(20)21-11/h4-7H,1-3H3,(H,16,17,20)/b11-6+
InChIKey
JYZUIZIAIPOIDF-IZZDOVSWSA-N
Compound name
(5E)-5-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.01038 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01766 173.9
[M+Na]+ 365.99960 183.3
[M-H]- 342.00310 178.5
[M+NH4]+ 361.04420 189.3
[M+K]+ 381.97354 175.9
[M+H-H2O]+ 326.00764 169.2
[M+HCOO]- 388.00858 178.3
[M+CH3COO]- 402.02423 204.3
[M+Na-2H]- 363.98505 168.1
[M]+ 343.00983 178.2
[M]- 343.01093 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.