CID 44562987

Chembl488444

Structural Information

Molecular Formula
C17H19N3OS
SMILES
CC1=NC(=CC=C1)N2C(SCC2=O)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C17H19N3OS/c1-12-5-4-6-15(18-12)20-16(21)11-22-17(20)13-7-9-14(10-8-13)19(2)3/h4-10,17H,11H2,1-3H3
InChIKey
ICPKWHMLZNJYKV-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]-3-(6-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

313.12488 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13216 173.1
[M+Na]+ 336.11410 181.5
[M-H]- 312.11760 182.3
[M+NH4]+ 331.15870 188.0
[M+K]+ 352.08804 176.9
[M+H-H2O]+ 296.12214 164.1
[M+HCOO]- 358.12308 190.2
[M+CH3COO]- 372.13873 184.6
[M+Na-2H]- 334.09955 171.6
[M]+ 313.12433 175.0
[M]- 313.12543 175.0
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

No patent data available for this compound.