CID 135542211

3-(3,5-dimethyl-4-thiozolidone-2-hydrazono)-2-indolinone

Structural Information

Molecular Formula
C13H12N4O2S
SMILES
CC1C(=O)N(/C(=N\N=C/2\C3=CC=CC=C3NC2=O)/S1)C
InChI
InChI=1S/C13H12N4O2S/c1-7-12(19)17(2)13(20-7)16-15-10-8-5-3-4-6-9(8)14-11(10)18/h3-7H,1-2H3,(H,14,15,18)/b16-13+
InChIKey
KWUGJUYVPNBIIQ-DTQAZKPQSA-N
Compound name
(2E)-3,5-dimethyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07536 165.1
[M+Na]+ 311.05730 175.1
[M-H]- 287.06080 172.5
[M+NH4]+ 306.10190 183.9
[M+K]+ 327.03124 170.5
[M+H-H2O]+ 271.06534 158.4
[M+HCOO]- 333.06628 184.0
[M+CH3COO]- 347.08193 204.7
[M+Na-2H]- 309.04275 164.1
[M]+ 288.06753 166.1
[M]- 288.06863 166.1
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.