CID 11742816

Wr-166391

Structural Information

Molecular Formula
C23H28Cl2N2O
SMILES
C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C4CC5CCC4CC5)O
InChI
InChI=1S/C23H28Cl2N2O/c24-15-10-17-18(23(28)20-3-1-2-8-26-20)12-21(27-22(17)19(25)11-15)16-9-13-4-6-14(16)7-5-13/h10-14,16,20,23,26,28H,1-9H2
InChIKey
NEYGUBGVINRKQF-UHFFFAOYSA-N
Compound name
[2-(2-bicyclo[2.2.2]octanyl)-6,8-dichloroquinolin-4-yl]-piperidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.15787 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16515 190.9
[M+Na]+ 441.14709 192.6
[M-H]- 417.15059 186.8
[M+NH4]+ 436.19169 203.0
[M+K]+ 457.12103 184.6
[M+H-H2O]+ 401.15513 181.7
[M+HCOO]- 463.15607 181.0
[M+CH3COO]- 477.17172 194.3
[M+Na-2H]- 439.13254 193.4
[M]+ 418.15732 187.4
[M]- 418.15842 187.4
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.