CID 3044088

N,n-dimethyl-3,3-diphenylcyclohexylamine hydrochloride

Structural Information

Molecular Formula
C20H25N
SMILES
CN(C)C1CCCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-21(2)19-14-9-15-20(16-19,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3
InChIKey
QSYAGAFDJLBOAW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3,3-diphenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1987 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.205976 168.9
[M+Na]+ 302.187918 172.4
[M-H]- 278.191424 178.6
[M+NH4]+ 297.232523 186.2
[M+K]+ 318.161858 168.5
[M+H-H2O]+ 262.195960 159.5
[M+HCOO]- 324.196901 189.8
[M+CH3COO]- 338.212551 179.6
[M+Na-2H]- 300.173366 172.8
[M]+ 279.19815142 164.1
[M]- 279.19924858 164.1
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.