CID 118645

4-thiazolidinone, 5-(1-methyl-2(1h)-pyridinylidene)-3-(2-propenyl)-2-thioxo-

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-methyl-2-pyridinylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

264.0391 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.046376 157.8
[M+Na]+ 287.028318 167.8
[M-H]- 263.031824 162.0
[M+NH4]+ 282.072923 175.0
[M+K]+ 303.002258 161.1
[M+H-H2O]+ 247.036360 151.6
[M+HCOO]- 309.037301 167.2
[M+CH3COO]- 323.052951 193.3
[M+Na-2H]- 285.013766 153.3
[M]+ 264.03855142 157.4
[M]- 264.03964858 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