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]+ 291.24308 174.0
[M+Na]+ 313.22502 175.6
[M-H]- 289.22852 178.7
[M+NH4]+ 308.26962 187.9
[M+K]+ 329.19896 173.6
[M+H-H2O]+ 273.23306 164.4
[M+HCOO]- 335.23400 192.1
[M+CH3COO]- 349.24965 209.9
[M+Na-2H]- 311.21047 174.6
[M]+ 290.23525 172.4
[M]- 290.23635 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