CID 118645

34330-15-9

Structural Information

Molecular Formula
C12H12N2OS2
SMILES
CN1C=CC=CC1=C2C(=O)N(C(=S)S2)CC=C
InChI
InChI=1S/C12H12N2OS2/c1-3-7-14-11(15)10(17-12(14)16)9-6-4-5-8-13(9)2/h3-6,8H,1,7H2,2H3
InChIKey
OSDPOVMRUCMJBN-UHFFFAOYSA-N
Compound name
5-(1-methylpyridin-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

264.0391 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04638 161.8
[M+Na]+ 287.02832 172.7
[M+NH4]+ 282.07292 169.4
[M+K]+ 303.00226 163.7
[M-H]- 263.03182 163.8
[M+Na-2H]- 285.01377 164.6
[M]+ 264.03855 164.6
[M]- 264.03965 164.6
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