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 150.4
[M+Na]+ 256.05151 158.3
[M-H]- 232.05501 157.4
[M+NH4]+ 251.09611 169.5
[M+K]+ 272.02545 154.1
[M+H-H2O]+ 216.05955 142.8
[M+HCOO]- 278.06049 171.7
[M+CH3COO]- 292.07614 192.7
[M+Na-2H]- 254.03696 152.6
[M]+ 233.06174 149.7
[M]- 233.06284 149.7
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.