CID 135542216

3-(3-p-chlorophenyl-5-methyl-4-thiozolidone-2-hydrazono)-5-bromo-2-indolinone

Structural Information

Molecular Formula
C18H12BrClN4O2S
SMILES
CC1C(=O)N(/C(=N\N=C/2\C3=C(C=CC(=C3)Br)NC2=O)/S1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H12BrClN4O2S/c1-9-17(26)24(12-5-3-11(20)4-6-12)18(27-9)23-22-15-13-8-10(19)2-7-14(13)21-16(15)25/h2-9H,1H3,(H,21,22,25)/b23-18+
InChIKey
CJPKDZLQQPDVPJ-PTGBLXJZSA-N
Compound name
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.9553 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.96258 193.4
[M+Na]+ 484.94452 207.8
[M-H]- 460.94802 206.4
[M+NH4]+ 479.98912 210.2
[M+K]+ 500.91846 193.0
[M+H-H2O]+ 444.95256 192.7
[M+HCOO]- 506.95350 205.7
[M+CH3COO]- 520.96915 206.2
[M+Na-2H]- 482.92997 192.4
[M]+ 461.95475 214.9
[M]- 461.95585 214.9
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.