CID 135542212

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

Structural Information

Molecular Formula
C18H20N4O2S
SMILES
CC1C(=O)N(/C(=N\N=C/2\C3=CC=CC=C3NC2=O)/S1)C4CCCCC4
InChI
InChI=1S/C18H20N4O2S/c1-11-17(24)22(12-7-3-2-4-8-12)18(25-11)21-20-15-13-9-5-6-10-14(13)19-16(15)23/h5-6,9-12H,2-4,7-8H2,1H3,(H,19,20,23)/b21-18+
InChIKey
ZBDUTVKSJBHSJM-DYTRJAOYSA-N
Compound name
(2E)-3-cyclohexyl-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

356.1307 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 183.9
[M+Na]+ 379.11992 190.1
[M-H]- 355.12342 192.8
[M+NH4]+ 374.16452 199.2
[M+K]+ 395.09386 184.5
[M+H-H2O]+ 339.12796 175.9
[M+HCOO]- 401.12890 198.4
[M+CH3COO]- 415.14455 193.4
[M+Na-2H]- 377.10537 180.0
[M]+ 356.13015 180.1
[M]- 356.13125 180.1
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.