CID 3703116

1-({6-[(1-cyanocyclohexyl)amino]hexyl}amino)cyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C20H34N4
SMILES
C1CCC(CC1)(C#N)NCCCCCCNC2(CCCCC2)C#N
InChI
InChI=1S/C20H34N4/c21-17-19(11-5-3-6-12-19)23-15-9-1-2-10-16-24-20(18-22)13-7-4-8-14-20/h23-24H,1-16H2
InChIKey
QUSSISKJJOVLJS-UHFFFAOYSA-N
Compound name
1-[6-[(1-cyanocyclohexyl)amino]hexylamino]cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.27835 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.28563 180.4
[M+Na]+ 353.26757 186.0
[M-H]- 329.27107 183.9
[M+NH4]+ 348.31217 191.4
[M+K]+ 369.24151 177.4
[M+H-H2O]+ 313.27561 165.1
[M+HCOO]- 375.27655 188.4
[M+CH3COO]- 389.29220 234.9
[M+Na-2H]- 351.25302 180.9
[M]+ 330.27780 167.5
[M]- 330.27890 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.