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]+ 291.24308 173.8
[M+Na]+ 313.22502 175.2
[M-H]- 289.22852 177.0
[M+NH4]+ 308.26962 187.1
[M+K]+ 329.19896 171.8
[M+H-H2O]+ 273.23306 164.3
[M+HCOO]- 335.23400 191.4
[M+CH3COO]- 349.24965 206.5
[M+Na-2H]- 311.21047 175.2
[M]+ 290.23525 170.9
[M]- 290.23635 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