CID 19789219

34330-18-2

Structural Information

Molecular Formula
C11H12N2O2S2
SMILES
CN1C=CC(=C2C(=O)N(C(=S)S2)CCO)C=C1
InChI
InChI=1S/C11H12N2O2S2/c1-12-4-2-8(3-5-12)9-10(15)13(6-7-14)11(16)17-9/h2-5,14H,6-7H2,1H3
InChIKey
ALLQCHYQXVPRLR-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-5-(1-methylpyridin-4-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.03403 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04131 157.9
[M+Na]+ 291.02325 167.3
[M-H]- 267.02675 160.8
[M+NH4]+ 286.06785 174.1
[M+K]+ 306.99719 160.9
[M+H-H2O]+ 251.03129 152.0
[M+HCOO]- 313.03223 166.2
[M+CH3COO]- 327.04788 190.8
[M+Na-2H]- 289.00870 153.8
[M]+ 268.03348 157.4
[M]- 268.03458 157.4
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