CID 135525131

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

Structural Information

Molecular Formula
C18H19BrN4O2S
SMILES
CC1C(=O)N(/C(=N\N=C/2\C3=C(C=CC(=C3)Br)NC2=O)/S1)C4CCCCC4
InChI
InChI=1S/C18H19BrN4O2S/c1-10-17(25)23(12-5-3-2-4-6-12)18(26-10)22-21-15-13-9-11(19)7-8-14(13)20-16(15)24/h7-10,12H,2-6H2,1H3,(H,20,21,24)/b22-18+
InChIKey
DKOSLWXQYNFCNG-RELWKKBWSA-N
Compound name
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.0412 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.04848 188.7
[M+Na]+ 457.03042 198.6
[M-H]- 433.03392 200.1
[M+NH4]+ 452.07502 205.1
[M+K]+ 473.00436 185.6
[M+H-H2O]+ 417.03846 187.5
[M+HCOO]- 479.03940 201.4
[M+CH3COO]- 493.05505 200.0
[M+Na-2H]- 455.01587 186.2
[M]+ 434.04065 204.0
[M]- 434.04175 204.0
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.