CID 3052938

Brn 1006710

Structural Information

Molecular Formula
C14H10ClN3OS
SMILES
C1C(=O)N(C(=NC2=CC=C(C=C2)Cl)S1)C3=CC=CC=N3
InChI
InChI=1S/C14H10ClN3OS/c15-10-4-6-11(7-5-10)17-14-18(13(19)9-20-14)12-3-1-2-8-16-12/h1-8H,9H2
InChIKey
ZVVRLOFRNGGEOV-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)imino-3-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02332 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03060 167.3
[M+Na]+ 326.01254 177.5
[M-H]- 302.01604 176.3
[M+NH4]+ 321.05714 183.2
[M+K]+ 341.98648 171.0
[M+H-H2O]+ 286.02058 158.7
[M+HCOO]- 348.02152 181.9
[M+CH3COO]- 362.03717 179.3
[M+Na-2H]- 323.99799 168.2
[M]+ 303.02277 169.5
[M]- 303.02387 169.5
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.