CID 3044094

N,n-dimethyl-5,5-diphenylcyclohex-2-enylamine hydrochloride

Structural Information

Molecular Formula
C20H23N
SMILES
CN(C)C1CC(CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N/c1-21(2)19-14-9-15-20(16-19,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-14,19H,15-16H2,1-2H3
InChIKey
XHYJCWWECLDETF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5,5-diphenylcyclohex-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 167.8
[M+Na]+ 300.172258 172.3
[M-H]- 276.175764 177.9
[M+NH4]+ 295.216863 185.3
[M+K]+ 316.146198 168.2
[M+H-H2O]+ 260.180300 158.4
[M+HCOO]- 322.181241 190.1
[M+CH3COO]- 336.196891 179.0
[M+Na-2H]- 298.157706 172.8
[M]+ 277.18249142 164.5
[M]- 277.18358858 164.5
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.