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]+ 234.069566 150.4
[M+Na]+ 256.051508 158.3
[M-H]- 232.055014 157.4
[M+NH4]+ 251.096113 169.5
[M+K]+ 272.025448 154.1
[M+H-H2O]+ 216.059550 142.8
[M+HCOO]- 278.060491 171.7
[M+CH3COO]- 292.076141 192.7
[M+Na-2H]- 254.036956 152.6
[M]+ 233.06174142 149.7
[M]- 233.06283858 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.