CID 3063726

Cyclohexanecarbonitrile, 1-(4-(o-methoxyphenyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C18H25N3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3(CCCCC3)C#N
InChI
InChI=1S/C18H25N3O/c1-22-17-8-4-3-7-16(17)20-11-13-21(14-12-20)18(15-19)9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKey
ROUIQOBXTPVMON-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.207046 170.0
[M+Na]+ 322.188988 175.9
[M-H]- 298.192494 173.4
[M+NH4]+ 317.233593 181.8
[M+K]+ 338.162928 168.8
[M+H-H2O]+ 282.197030 153.2
[M+HCOO]- 344.197971 180.4
[M+CH3COO]- 358.213621 177.2
[M+Na-2H]- 320.174436 171.8
[M]+ 299.19922142 158.1
[M]- 299.20031858 158.1
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.