CID 108051

2-hydroxyimipramine

Structural Information

Molecular Formula
C19H24N2O
SMILES
CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
InChI
InChI=1S/C19H24N2O/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22)10-11-19(16)21/h3-4,6-7,10-11,14,22H,5,8-9,12-13H2,1-2H3
InChIKey
ROTCPJFWLNDKHU-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

86
Patents

296.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 169.5
[M+Na]+ 319.17809 181.0
[M+NH4]+ 314.22269 177.6
[M+K]+ 335.15203 174.3
[M-H]- 295.18159 173.1
[M+Na-2H]- 317.16354 175.2
[M]+ 296.18832 172.3
[M]- 296.18942 172.3
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