CID 135499525

3-[3-(p-tolil)-5-methyl-4-thiozolidone-2-hydrazono)-2-indolinone

Structural Information

Molecular Formula
C19H16N4O2S
SMILES
CC1C(=O)N(/C(=N/N=C\2/C3=CC=CC=C3NC2=O)/S1)C4=CC=C(C=C4)C
InChI
InChI=1S/C19H16N4O2S/c1-11-7-9-13(10-8-11)23-18(25)12(2)26-19(23)22-21-16-14-5-3-4-6-15(14)20-17(16)24/h3-10,12H,1-2H3,(H,20,21,24)/b22-19-
InChIKey
RPSWICTYNFKREO-QOCHGBHMSA-N
Compound name
(2Z)-5-methyl-3-(4-methylphenyl)-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

364.0994 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10668 186.3
[M+Na]+ 387.08862 195.9
[M-H]- 363.09212 196.8
[M+NH4]+ 382.13322 201.8
[M+K]+ 403.06256 189.5
[M+H-H2O]+ 347.09666 178.4
[M+HCOO]- 409.09760 204.7
[M+CH3COO]- 423.11325 197.3
[M+Na-2H]- 385.07407 183.9
[M]+ 364.09885 187.4
[M]- 364.09995 187.4
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.