CID 49768030

3-(6-methyl-2-pyridyl)-2-(3-pyridyl)thiazolidin-4-one

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CC1=NC(=CC=C1)N2C(SCC2=O)C3=CN=CC=C3
InChI
InChI=1S/C14H13N3OS/c1-10-4-2-6-12(16-10)17-13(18)9-19-14(17)11-5-3-7-15-8-11/h2-8,14H,9H2,1H3
InChIKey
KDEJIXOZUXTFIW-UHFFFAOYSA-N
Compound name
3-(6-methylpyridin-2-yl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.07794 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 160.7
[M+Na]+ 294.06716 170.5
[M-H]- 270.07066 167.2
[M+NH4]+ 289.11176 175.4
[M+K]+ 310.04110 165.1
[M+H-H2O]+ 254.07520 151.7
[M+HCOO]- 316.07614 176.1
[M+CH3COO]- 330.09179 172.4
[M+Na-2H]- 292.05261 161.0
[M]+ 271.07739 161.0
[M]- 271.07849 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.