CID 202816

(+)-n,alpha-dimethyl-n-(p-methylbenzyl)phenethylamine hydrochloride

Structural Information

Molecular Formula
C18H23N
SMILES
CC1=CC=C(C=C1)CN(C)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C18H23N/c1-15-9-11-18(12-10-15)14-19(3)16(2)13-17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3
InChIKey
HKVKXNRVEUNUSE-UHFFFAOYSA-N
Compound name
N-methyl-N-[(4-methylphenyl)methyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.18304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.190316 162.3
[M+Na]+ 276.172258 167.2
[M-H]- 252.175764 169.7
[M+NH4]+ 271.216863 179.5
[M+K]+ 292.146198 164.1
[M+H-H2O]+ 236.180300 154.1
[M+HCOO]- 298.181241 185.9
[M+CH3COO]- 312.196891 204.4
[M+Na-2H]- 274.157706 165.9
[M]+ 253.18249142 163.1
[M]- 253.18358858 163.1
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.