CID 3062075

1-(7-chloro-2-phenyl-4-quinolyl)-2-(4-piperidyl)ethanone methanesulphonic acid

Structural Information

Molecular Formula
C22H21ClN2O
SMILES
C1CNCCC1CC(=O)C2=CC(=NC3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H21ClN2O/c23-17-6-7-18-19(22(26)12-15-8-10-24-11-9-15)14-20(25-21(18)13-17)16-4-2-1-3-5-16/h1-7,13-15,24H,8-12H2
InChIKey
DSKUJJXZEBGTIY-UHFFFAOYSA-N
Compound name
1-(7-chloro-2-phenylquinolin-4-yl)-2-piperidin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.13425 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14153 187.1
[M+Na]+ 387.12347 192.6
[M-H]- 363.12697 191.9
[M+NH4]+ 382.16807 196.9
[M+K]+ 403.09741 183.8
[M+H-H2O]+ 347.13151 176.0
[M+HCOO]- 409.13245 195.8
[M+CH3COO]- 423.14810 194.7
[M+Na-2H]- 385.10892 189.0
[M]+ 364.13370 183.2
[M]- 364.13480 183.2
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