CID 135570653

2-(2-cyano-3-amino-3-(cyclohexylamino)prop-2-enylidene)indolin-3-one

Structural Information

Molecular Formula
C18H20N4O
SMILES
C1CCC(CC1)N=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C18H20N4O/c19-11-12(18(20)21-13-6-2-1-3-7-13)10-16-17(23)14-8-4-5-9-15(14)22-16/h4-5,8-10,13,22-23H,1-3,6-7H2,(H2,20,21)/b12-10-
InChIKey
VTWGHEOVWRIMKQ-BENRWUELSA-N
Compound name
(Z)-2-cyano-N'-cyclohexyl-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 180.1
[M+Na]+ 331.15292 186.6
[M-H]- 307.15642 182.1
[M+NH4]+ 326.19752 192.4
[M+K]+ 347.12686 178.2
[M+H-H2O]+ 291.16096 165.2
[M+HCOO]- 353.16190 194.4
[M+CH3COO]- 367.17755 187.0
[M+Na-2H]- 329.13837 179.5
[M]+ 308.16315 168.2
[M]- 308.16425 168.2
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.