CID 135438845

32003-25-1

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC1C(=O)N/C(=N\N=C\C2=CC=CC=C2)/S1
InChI
InChI=1S/C11H11N3OS/c1-8-10(15)13-11(16-8)14-12-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,15)/b12-7+
InChIKey
KQHCKZOYLGMBLE-KPKJPENVSA-N
Compound name
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

233.06229 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06957 152.1
[M+Na]+ 256.05151 162.4
[M+NH4]+ 251.09611 160.2
[M+K]+ 272.02545 155.3
[M-H]- 232.05501 156.1
[M+Na-2H]- 254.03696 158.4
[M]+ 233.06174 154.8
[M]- 233.06284 154.8
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

No patent data available for this compound.