CID 3052931

Brn 4939054

Structural Information

Molecular Formula
C14H11N3OS
SMILES
C1C(=O)N(C(=NC2=CC=CC=C2)S1)C3=CC=CC=N3
InChI
InChI=1S/C14H11N3OS/c18-13-10-19-14(16-11-6-2-1-3-7-11)17(13)12-8-4-5-9-15-12/h1-9H,10H2
InChIKey
TZSSSWSLQXVNLO-UHFFFAOYSA-N
Compound name
2-phenylimino-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06958 159.1
[M+Na]+ 292.05152 173.0
[M+NH4]+ 287.09612 168.0
[M+K]+ 308.02546 164.7
[M-H]- 268.05502 165.2
[M+Na-2H]- 290.03697 168.9
[M]+ 269.06175 163.2
[M]- 269.06285 163.2
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.