CID 11961794

8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

Structural Information

Molecular Formula
C20H23ClN2O
SMILES
CN1CCC(CC1)C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)O
InChI
InChI=1S/C20H23ClN2O/c1-23-11-8-16(9-12-23)20(24)18-7-6-17(21)13-15(18)5-4-14-3-2-10-22-19(14)20/h2-3,6-7,10,13,16,24H,4-5,8-9,11-12H2,1H3
InChIKey
HSLLZISLOQPUNP-UHFFFAOYSA-N
Compound name
13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

342.1499 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15718 182.0
[M+Na]+ 365.13912 189.8
[M-H]- 341.14262 186.5
[M+NH4]+ 360.18372 196.2
[M+K]+ 381.11306 185.8
[M+H-H2O]+ 325.14716 172.5
[M+HCOO]- 387.14810 189.8
[M+CH3COO]- 401.16375 190.6
[M+Na-2H]- 363.12457 185.5
[M]+ 342.14935 176.6
[M]- 342.15045 176.6
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