CID 3064399

Phenethylamine, beta-(dimethylamino)-beta-phenyl-

Structural Information

Molecular Formula
C16H20N2
SMILES
CN(C)C(CN)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2/c1-18(2)16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13,17H2,1-2H3
InChIKey
NZWSARPJMPSIQF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,1-diphenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.16264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 156.8
[M+Na]+ 263.151858 161.5
[M-H]- 239.155364 163.9
[M+NH4]+ 258.196463 173.8
[M+K]+ 279.125798 158.4
[M+H-H2O]+ 223.159900 148.9
[M+HCOO]- 285.160841 180.9
[M+CH3COO]- 299.176491 201.0
[M+Na-2H]- 261.137306 163.5
[M]+ 240.16209142 155.0
[M]- 240.16318858 155.0
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