CID 55869

Allylamine, n-(1,2-diphenylethyl)-n-methyl-, hydrochloride, (+-)-

Structural Information

Molecular Formula
C18H21N
SMILES
CN(CC=C)C(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21N/c1-3-14-19(2)18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h3-13,18H,1,14-15H2,2H3
InChIKey
NNWWDRJKGCTUQS-UHFFFAOYSA-N
Compound name
N-(1,2-diphenylethyl)-N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.174676 161.5
[M+Na]+ 274.156618 165.7
[M-H]- 250.160124 168.5
[M+NH4]+ 269.201223 178.3
[M+K]+ 290.130558 161.9
[M+H-H2O]+ 234.164660 153.1
[M+HCOO]- 296.165601 185.2
[M+CH3COO]- 310.181251 202.4
[M+Na-2H]- 272.142066 165.8
[M]+ 251.16685142 161.1
[M]- 251.16794858 161.1
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.