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

5
Patents

360.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.191056 188.6
[M+Na]+ 383.172998 192.6
[M-H]- 359.176504 193.5
[M+NH4]+ 378.217603 197.5
[M+K]+ 399.146938 185.8
[M+H-H2O]+ 343.181040 176.8
[M+HCOO]- 405.181981 201.6
[M+CH3COO]- 419.197631 196.0
[M+Na-2H]- 381.158446 190.5
[M]+ 360.18323142 183.9
[M]- 360.18432858 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