CID 3052934

Brn 1012993

Structural Information

Molecular Formula
C16H15N3OS
SMILES
CC1=CC(=C(C=C1)N=C2N(C(=O)CS2)C3=CC=CC=N3)C
InChI
InChI=1S/C16H15N3OS/c1-11-6-7-13(12(2)9-11)18-16-19(15(20)10-21-16)14-5-3-4-8-17-14/h3-9H,10H2,1-2H3
InChIKey
OYHINJBVNCZTAR-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)imino-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 168.7
[M+Na]+ 320.08282 182.8
[M+NH4]+ 315.12742 177.2
[M+K]+ 336.05676 174.5
[M-H]- 296.08632 174.8
[M+Na-2H]- 318.06827 177.4
[M]+ 297.09305 172.9
[M]- 297.09415 172.9
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.