CID 65589

Imipraminoxide

Structural Information

Molecular Formula
C19H24N2O
SMILES
C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]
InChI
InChI=1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey
QZIQORUGXBPDSU-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

2837
Patents

296.18887 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 170.8
[M+Na]+ 319.17809 175.4
[M-H]- 295.18159 175.4
[M+NH4]+ 314.22269 185.7
[M+K]+ 335.15203 170.4
[M+H-H2O]+ 279.18613 168.6
[M+HCOO]- 341.18707 188.4
[M+CH3COO]- 355.20272 202.5
[M+Na-2H]- 317.16354 179.9
[M]+ 296.18832 166.5
[M]- 296.18942 166.5
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

No patent data available for this compound.