CID 44562941

Chembl470324

Structural Information

Molecular Formula
C16H17N3OS
SMILES
CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=CC=N3
InChI
InChI=1S/C16H17N3OS/c1-18(2)13-8-6-12(7-9-13)16-19(15(20)11-21-16)14-5-3-4-10-17-14/h3-10,16H,11H2,1-2H3
InChIKey
PSSIXVHSZSMVOK-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.10922 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11650 168.6
[M+Na]+ 322.09844 176.6
[M-H]- 298.10194 177.5
[M+NH4]+ 317.14304 183.8
[M+K]+ 338.07238 172.2
[M+H-H2O]+ 282.10648 159.5
[M+HCOO]- 344.10742 186.1
[M+CH3COO]- 358.12307 180.2
[M+Na-2H]- 320.08389 168.3
[M]+ 299.10867 169.7
[M]- 299.10977 169.7
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.