CID 65753

Viquidil

Structural Information

Molecular Formula
C20H24N2O2
SMILES
COC1=CC2=C(C=CN=C2C=C1)C(=O)CC[C@@H]3CCNC[C@@H]3C=C
InChI
InChI=1S/C20H24N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3/t14-,15+/m0/s1
InChIKey
DKRSEIPLAZTSFD-LSDHHAIUSA-N
Compound name
3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2021
Patents

324.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 180.1
[M+Na]+ 347.172998 184.7
[M-H]- 323.176504 182.1
[M+NH4]+ 342.217603 191.3
[M+K]+ 363.146938 178.5
[M+H-H2O]+ 307.181040 170.1
[M+HCOO]- 369.181981 193.3
[M+CH3COO]- 383.197631 208.4
[M+Na-2H]- 345.158446 181.3
[M]+ 324.18323142 176.7
[M]- 324.18432858 176.7
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