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

7
Patents

268.19394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 166.9
[M+Na]+ 291.18316 169.5
[M-H]- 267.18666 173.8
[M+NH4]+ 286.22776 182.6
[M+K]+ 307.15710 167.0
[M+H-H2O]+ 251.19120 158.1
[M+HCOO]- 313.19214 190.4
[M+CH3COO]- 327.20779 209.0
[M+Na-2H]- 289.16861 170.3
[M]+ 268.19339 165.9
[M]- 268.19449 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