CID 85603461

Doxylamine n-oxide dihydrochloride

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCC[N+](C)(C)[O-]
InChI
InChI=1S/C17H22N2O2/c1-17(15-9-5-4-6-10-15,16-11-7-8-12-18-16)21-14-13-19(2,3)20/h4-12H,13-14H2,1-3H3
InChIKey
SSGKPGKMFJONCR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 166.8
[M+Na]+ 309.15734 171.4
[M-H]- 285.16084 171.6
[M+NH4]+ 304.20194 180.2
[M+K]+ 325.13128 163.7
[M+H-H2O]+ 269.16538 163.1
[M+HCOO]- 331.16632 187.4
[M+CH3COO]- 345.18197 196.4
[M+Na-2H]- 307.14279 177.7
[M]+ 286.16757 166.1
[M]- 286.16867 166.1
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

No patent data available for this compound.