CID 135499528

3-[3-(p-bromophenyl)-5-methyl-4-thiozolidone-2-hydrazone]-2-indolinone

Structural Information

Molecular Formula
C18H13BrN4O2S
SMILES
CC1C(=O)N(/C(=N/N=C\2/C3=CC=CC=C3NC2=O)/S1)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H13BrN4O2S/c1-10-17(25)23(12-8-6-11(19)7-9-12)18(26-10)22-21-15-13-4-2-3-5-14(13)20-16(15)24/h2-10H,1H3,(H,20,21,24)/b22-18-
InChIKey
HRUPEFDRDLPRIE-PYCFMQQDSA-N
Compound name
(2Z)-3-(4-bromophenyl)-5-methyl-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

427.99426 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.00154 185.0
[M+Na]+ 450.98348 197.8
[M-H]- 426.98698 197.8
[M+NH4]+ 446.02808 201.9
[M+K]+ 466.95742 184.3
[M+H-H2O]+ 410.99152 183.8
[M+HCOO]- 472.99246 201.8
[M+CH3COO]- 487.00811 197.9
[M+Na-2H]- 448.96893 185.2
[M]+ 427.99371 204.3
[M]- 427.99481 204.3
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.