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]+ 270.069576 159.3
[M+Na]+ 292.051518 168.0
[M-H]- 268.055024 168.1
[M+NH4]+ 287.096123 175.5
[M+K]+ 308.025458 163.0
[M+H-H2O]+ 252.059560 150.2
[M+HCOO]- 314.060501 178.7
[M+CH3COO]- 328.076151 171.6
[M+Na-2H]- 290.036966 161.6
[M]+ 269.06175142 159.1
[M]- 269.06284858 159.1
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.