CID 160545

10-hydroxyimipramine

Structural Information

Molecular Formula
C19H24N2O
SMILES
CN(C)CCCN1C2=CC=CC=C2CC(C3=CC=CC=C31)O
InChI
InChI=1S/C19H24N2O/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19(22)16-9-4-6-11-18(16)21/h3-6,8-11,19,22H,7,12-14H2,1-2H3
InChIKey
ZSMIJDLRAXUDLV-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

296.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 169.6
[M+Na]+ 319.178088 175.1
[M-H]- 295.181594 174.6
[M+NH4]+ 314.222693 184.9
[M+K]+ 335.152028 175.0
[M+H-H2O]+ 279.186130 162.8
[M+HCOO]- 341.187071 187.6
[M+CH3COO]- 355.202721 179.8
[M+Na-2H]- 317.163536 174.7
[M]+ 296.18832142 167.9
[M]- 296.18941858 167.9
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