CID 154699866

10-hydroxyclomipramine

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
CN(C)CCCN1C2=CC=CC=C2C(CC3=C1C=C(C=C3)Cl)O
InChI
InChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-16(17)19(23)12-14-8-9-15(20)13-18(14)22/h3-4,6-9,13,19,23H,5,10-12H2,1-2H3
InChIKey
OVNBDHJPQNLBSY-UHFFFAOYSA-N
Compound name
2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1499 Da
Monoisotopic Mass

4.1
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

No patent data available for this compound.