CID 408499

Chembl140266

Structural Information

Molecular Formula

SMILES

C1CCNC(C1)C(C2=CC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C25H23ClN2O/c26-18-11-8-17(9-12-18)23-15-21(25(29)22-7-3-4-14-27-22)20-13-10-16-5-1-2-6-19(16)24(20)28-23/h1-2,5-6,8-13,15,22,25,27,29H,3-4,7,14H2

InChIKey

FUXMBPSLHZVANC-UHFFFAOYSA-N

Compound name

[2-(4-chlorophenyl)benzo[h]quinolin-4-yl]-piperidin-2-ylmethanol

Related CIDs

2D Structure

1
Annotation Hits: 2
References: 1
Patents: 402.1499 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	403.15718	195.4
[M+Na]+	425.13912	201.9
[M-H]-	401.14262	200.1
[M+NH4]+	420.18372	204.0
[M+K]+	441.11306	191.9
[M+H-H2O]+	385.14716	183.9
[M+HCOO]-	447.14810	202.3
[M+CH3COO]-	461.16375	202.3
[M+Na-2H]-	423.12457	198.6
[M]+	402.14935	192.0
[M]-	402.15045	192.0

Literature stripe

Patent stripe