CID 135580376

Schembl6262617

Structural Information

Molecular Formula
C17H14N2OS
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)NC(=NC3=CC=CC=C3)S2
InChI
InChI=1S/C17H14N2OS/c1-12-7-9-13(10-8-12)11-15-16(20)19-17(21-15)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19,20)/b15-11-
InChIKey
CUZVVKUWUQUVKK-PTNGSMBKSA-N
Compound name
(5Z)-5-[(4-methylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

294.08267 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08995 168.6
[M+Na]+ 317.07189 181.8
[M+NH4]+ 312.11649 177.1
[M+K]+ 333.04583 173.0
[M-H]- 293.07539 174.6
[M+Na-2H]- 315.05734 177.1
[M]+ 294.08212 172.5
[M]- 294.08322 172.5
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

patents stripe