CID 118645

Dtxsid1067833

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
3
Annotation Hits

0
References

6
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 157.8
[M+Na]+ 287.02832 167.8
[M-H]- 263.03182 162.0
[M+NH4]+ 282.07292 175.0
[M+K]+ 303.00226 161.1
[M+H-H2O]+ 247.03636 151.6
[M+HCOO]- 309.03730 167.2
[M+CH3COO]- 323.05295 193.3
[M+Na-2H]- 285.01377 153.3
[M]+ 264.03855 157.4
[M]- 264.03965 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