CID 3062073

Ethanone, 1-(2-(4-methoxyphenyl)-4-quinolinyl)-2-(4-piperidinyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H24N2O2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)CC4CCNCC4
InChI
InChI=1S/C23H24N2O2/c1-27-18-8-6-17(7-9-18)22-15-20(19-4-2-3-5-21(19)25-22)23(26)14-16-10-12-24-13-11-16/h2-9,15-16,24H,10-14H2,1H3
InChIKey
FVYWMQZIGVEWBH-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)quinolin-4-yl]-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

360.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 188.6
[M+Na]+ 383.17300 192.6
[M-H]- 359.17650 193.5
[M+NH4]+ 378.21760 197.5
[M+K]+ 399.14694 185.8
[M+H-H2O]+ 343.18104 176.8
[M+HCOO]- 405.18198 201.6
[M+CH3COO]- 419.19763 196.0
[M+Na-2H]- 381.15845 190.5
[M]+ 360.18323 183.9
[M]- 360.18433 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe