CID 100995277

Doxepin n-oxide

Structural Information

Molecular Formula
C19H21NO2
SMILES
C[N+](C)(CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31)[O-]
InChI
InChI=1S/C19H21NO2/c1-20(2,21)13-7-11-17-16-9-4-3-8-15(16)14-22-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
InChIKey
QJCSDPQQGVJGQY-GZTJUZNOSA-N
Compound name
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

295.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 174.5
[M+Na]+ 318.14645 187.6
[M+NH4]+ 313.19105 183.2
[M+K]+ 334.12039 182.1
[M-H]- 294.14995 180.4
[M+Na-2H]- 316.13190 180.0
[M]+ 295.15668 178.3
[M]- 295.15778 178.3
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