CID 1380742

36772-64-2

Structural Information

Molecular Formula
C11H12N2OS2
SMILES
CCN1C(=O)C(=C2C=CC=CN2C)SC1=S
InChI
InChI=1S/C11H12N2OS2/c1-3-13-10(14)9(16-11(13)15)8-6-4-5-7-12(8)2/h4-7H,3H2,1-2H3
InChIKey
HLIACYSTIJITSD-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1-methylpyridin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

252.03911 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04639 154.1
[M+Na]+ 275.02833 164.3
[M-H]- 251.03183 158.5
[M+NH4]+ 270.07293 171.9
[M+K]+ 291.00227 158.4
[M+H-H2O]+ 235.03637 148.1
[M+HCOO]- 297.03731 163.7
[M+CH3COO]- 311.05296 191.2
[M+Na-2H]- 273.01378 150.1
[M]+ 252.03856 154.0
[M]- 252.03966 154.0
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

patents stripe