CID 4713262

N,n-dimethyl-2-[(rs)-1-phenyl(pyridin-2-yl)methoxy]ethanamine hydrogen fumarate

Structural Information

Molecular Formula
C16H20N2O
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C16H20N2O/c1-18(2)12-13-19-16(14-8-4-3-5-9-14)15-10-6-7-11-17-15/h3-11,16H,12-13H2,1-2H3
InChIKey
OKKTWMJPOLLMMV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl(pyridin-2-yl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 161.0
[M+Na]+ 279.14678 165.6
[M-H]- 255.15028 166.8
[M+NH4]+ 274.19138 176.2
[M+K]+ 295.12072 163.3
[M+H-H2O]+ 239.15482 151.5
[M+HCOO]- 301.15576 184.1
[M+CH3COO]- 315.17141 201.8
[M+Na-2H]- 277.13223 166.5
[M]+ 256.15701 162.5
[M]- 256.15811 162.5
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