CID 11724232

8-hydroxyclomipramine

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=C(C=C2)O
InChI
InChI=1S/C19H23ClN2O/c1-21(2)10-3-11-22-18-9-8-17(23)12-15(18)5-4-14-6-7-16(20)13-19(14)22/h6-9,12-13,23H,3-5,10-11H2,1-2H3
InChIKey
PVKACZKLKCTAHR-UHFFFAOYSA-N
Compound name
9-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

330.1499 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 174.9
[M+Na]+ 353.13912 187.4
[M+NH4]+ 348.18372 183.2
[M+K]+ 369.11306 180.1
[M-H]- 329.14262 178.5
[M+Na-2H]- 351.12457 180.3
[M]+ 330.14935 178.1
[M]- 330.15045 178.1
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