CID 136079829

N'-(5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene)acetohydrazide

Structural Information

Molecular Formula
C12H11N3O2S
SMILES
CC(=O)N/N=C/1\NC(=O)/C(=C\C2=CC=CC=C2)/S1
InChI
InChI=1S/C12H11N3O2S/c1-8(16)14-15-12-13-11(17)10(18-12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16)(H,13,15,17)/b10-7+
InChIKey
VWOGQCDGLMSDRM-JXMROGBWSA-N
Compound name
N-[(E)-[(5E)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06448 158.3
[M+Na]+ 284.04642 165.0
[M-H]- 260.04992 163.8
[M+NH4]+ 279.09102 175.3
[M+K]+ 300.02036 160.2
[M+H-H2O]+ 244.05446 150.8
[M+HCOO]- 306.05540 177.0
[M+CH3COO]- 320.07105 194.8
[M+Na-2H]- 282.03187 158.7
[M]+ 261.05665 156.1
[M]- 261.05775 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.