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

2850
Patents

296.18887 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 170.8
[M+Na]+ 319.178088 175.4
[M-H]- 295.181594 175.4
[M+NH4]+ 314.222693 185.7
[M+K]+ 335.152028 170.4
[M+H-H2O]+ 279.186130 168.6
[M+HCOO]- 341.187071 188.4
[M+CH3COO]- 355.202721 202.5
[M+Na-2H]- 317.163536 179.9
[M]+ 296.18832142 166.5
[M]- 296.18941858 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

literature stripe

Patent stripe

patents stripe