CID 3079544

4-(2-(1-piperidinyl)ethoxy)-n,n,alpha-trimethylbenzeneethanamine dihydrochloride h2o (2:4:1)

Structural Information

Molecular Formula
C18H30N2O
SMILES
CC(CC1=CC=C(C=C1)OCCN2CCCCC2)N(C)C
InChI
InChI=1S/C18H30N2O/c1-16(19(2)3)15-17-7-9-18(10-8-17)21-14-13-20-11-5-4-6-12-20/h7-10,16H,4-6,11-15H2,1-3H3
InChIKey
BZCQZAHRNSSHRA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.243076 174.0
[M+Na]+ 313.225018 175.6
[M-H]- 289.228524 178.7
[M+NH4]+ 308.269623 187.9
[M+K]+ 329.198958 173.6
[M+H-H2O]+ 273.233060 164.4
[M+HCOO]- 335.234001 192.1
[M+CH3COO]- 349.249651 209.9
[M+Na-2H]- 311.210466 174.6
[M]+ 290.23525142 172.4
[M]- 290.23634858 172.4
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