CID 3025394

Phenethylamine, n-benzyl-beta-(dimethylamino)-alpha-methyl-

Structural Information

Molecular Formula
C18H24N2
SMILES
CC(C(C1=CC=CC=C1)N(C)C)NCC2=CC=CC=C2
InChI
InChI=1S/C18H24N2/c1-15(19-14-16-10-6-4-7-11-16)18(20(2)3)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3
InChIKey
ZMQUBIRTSLCLRD-UHFFFAOYSA-N
Compound name
2-N-benzyl-1-N,1-N-dimethyl-1-phenylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

268.19394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 166.9
[M+Na]+ 291.183158 169.5
[M-H]- 267.186664 173.8
[M+NH4]+ 286.227763 182.6
[M+K]+ 307.157098 167.0
[M+H-H2O]+ 251.191200 158.1
[M+HCOO]- 313.192141 190.4
[M+CH3COO]- 327.207791 209.0
[M+Na-2H]- 289.168606 170.3
[M]+ 268.19339142 165.9
[M]- 268.19448858 165.9
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

patents stripe