CID 197946

33225-03-5

Structural Information

Molecular Formula
C21H20Cl2N2O
SMILES
C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C4=CC=CC=C4)O
InChI
InChI=1S/C21H20Cl2N2O/c22-14-10-15-16(21(26)18-8-4-5-9-24-18)12-19(13-6-2-1-3-7-13)25-20(15)17(23)11-14/h1-3,6-7,10-12,18,21,24,26H,4-5,8-9H2
InChIKey
ALUZCFMOHFZLKV-UHFFFAOYSA-N
Compound name
(6,8-dichloro-2-phenylquinolin-4-yl)-piperidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

386.09528 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10256 187.8
[M+Na]+ 409.08450 194.3
[M-H]- 385.08800 191.0
[M+NH4]+ 404.12910 197.0
[M+K]+ 425.05844 185.0
[M+H-H2O]+ 369.09254 178.0
[M+HCOO]- 431.09348 190.3
[M+CH3COO]- 445.10913 194.8
[M+Na-2H]- 407.06995 188.5
[M]+ 386.09473 184.6
[M]- 386.09583 184.6
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