CID 3079535

4-(2-(diethylamino)ethoxy)-n,n,alpha-trimethylbenzeneethanamine dihydrochloride

Structural Information

Molecular Formula
C17H30N2O
SMILES
CCN(CC)CCOC1=CC=C(C=C1)CC(C)N(C)C
InChI
InChI=1S/C17H30N2O/c1-6-19(7-2)12-13-20-17-10-8-16(9-11-17)14-15(3)18(4)5/h8-11,15H,6-7,12-14H2,1-5H3
InChIKey
SIRAESQCZIFMCQ-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.24308 173.1
[M+Na]+ 301.22502 176.3
[M-H]- 277.22852 178.4
[M+NH4]+ 296.26962 190.0
[M+K]+ 317.19896 176.2
[M+H-H2O]+ 261.23306 164.8
[M+HCOO]- 323.23400 197.2
[M+CH3COO]- 337.24965 216.2
[M+Na-2H]- 299.21047 174.0
[M]+ 278.23525 178.1
[M]- 278.23635 178.1
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.