CID 547349

N,alpha-dimethyl-4-(3-(1-piperidinyl)propoxy)benzeneethanamine dihydrochloride

Structural Information

Molecular Formula
C18H30N2O
SMILES
CC(CC1=CC=C(C=C1)OCCCN2CCCCC2)NC
InChI
InChI=1S/C18H30N2O/c1-16(19-2)15-17-7-9-18(10-8-17)21-14-6-13-20-11-4-3-5-12-20/h7-10,16,19H,3-6,11-15H2,1-2H3
InChIKey
BAKOXFJIVYIGBQ-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.243076 173.8
[M+Na]+ 313.225018 175.2
[M-H]- 289.228524 177.0
[M+NH4]+ 308.269623 187.1
[M+K]+ 329.198958 171.8
[M+H-H2O]+ 273.233060 164.3
[M+HCOO]- 335.234001 191.4
[M+CH3COO]- 349.249651 206.5
[M+Na-2H]- 311.210466 175.2
[M]+ 290.23525142 170.9
[M]- 290.23634858 170.9
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