CID 135411779

38771-64-1

Structural Information

Molecular Formula
C16H12N2OS
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)NC(=NC3=CC=CC=C3)S2
InChI
InChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-
InChIKey
AXMGOWZVQOLCDR-KAMYIIQDSA-N
Compound name
(5Z)-5-benzylidene-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

280.06705 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07433 164.0
[M+Na]+ 303.05627 177.1
[M+NH4]+ 298.10087 172.7
[M+K]+ 319.03021 168.3
[M-H]- 279.05977 170.0
[M+Na-2H]- 301.04172 173.0
[M]+ 280.06650 167.9
[M]- 280.06760 167.9
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