CID 3025395

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

Structural Information

Molecular Formula
C18H24N2
SMILES
CC(CNCC1=CC=CC=C1)(C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C18H24N2/c1-18(20(2)3,17-12-8-5-9-13-17)15-19-14-16-10-6-4-7-11-16/h4-13,19H,14-15H2,1-3H3
InChIKey
KAVNDXXDQVYJEU-UHFFFAOYSA-N
Compound name
1-N-benzyl-2-N,2-N-dimethyl-2-phenylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.19394 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.201216 165.6
[M+Na]+ 291.183158 169.3
[M-H]- 267.186664 172.7
[M+NH4]+ 286.227763 181.6
[M+K]+ 307.157098 166.2
[M+H-H2O]+ 251.191200 157.1
[M+HCOO]- 313.192141 189.6
[M+CH3COO]- 327.207791 207.7
[M+Na-2H]- 289.168606 172.2
[M]+ 268.19339142 165.4
[M]- 268.19448858 165.4
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