CID 135684230

Z56765681

Structural Information

Molecular Formula
C13H12N4OS
SMILES
C/C(=N\N=C/1\NC(=O)CS1)/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H12N4OS/c1-8(16-17-13-15-12(18)7-19-13)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3,(H,15,17,18)/b16-8+
InChIKey
LICBWIAXSCCGLL-LZYBPNLTSA-N
Compound name
(2Z)-2-[(E)-1-(1H-indol-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.07318 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08046 159.8
[M+Na]+ 295.06240 168.6
[M-H]- 271.06590 165.8
[M+NH4]+ 290.10700 178.2
[M+K]+ 311.03634 163.5
[M+H-H2O]+ 255.07044 152.6
[M+HCOO]- 317.07138 178.9
[M+CH3COO]- 331.08703 171.7
[M+Na-2H]- 293.04785 161.2
[M]+ 272.07263 159.5
[M]- 272.07373 159.5
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.