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]+ 309.170976 180.1
[M+Na]+ 331.152918 186.6
[M-H]- 307.156424 182.1
[M+NH4]+ 326.197523 192.4
[M+K]+ 347.126858 178.2
[M+H-H2O]+ 291.160960 165.2
[M+HCOO]- 353.161901 194.4
[M+CH3COO]- 367.177551 187.0
[M+Na-2H]- 329.138366 179.5
[M]+ 308.16315142 168.2
[M]- 308.16424858 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.