CID 3060990

1-propargyl-5-(3-(4-benzyl-1-piperidyl)propoxy)-3,4-dihydrocarbostyril monohydrochloride

Structural Information

Molecular Formula
C27H32N2O2
SMILES
C#CCN1C(=O)CCC2=C1C=CC=C2OCCCN3CCC(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C27H32N2O2/c1-2-16-29-25-10-6-11-26(24(25)12-13-27(29)30)31-20-7-17-28-18-14-23(15-19-28)21-22-8-4-3-5-9-22/h1,3-6,8-11,23H,7,12-21H2
InChIKey
LGQOLWGFCMYZOK-UHFFFAOYSA-N
Compound name
5-[3-(4-benzylpiperidin-1-yl)propoxy]-1-prop-2-ynyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.25365 202.4
[M+Na]+ 439.23559 208.1
[M-H]- 415.23909 204.2
[M+NH4]+ 434.28019 208.4
[M+K]+ 455.20953 196.6
[M+H-H2O]+ 399.24363 184.1
[M+HCOO]- 461.24457 208.7
[M+CH3COO]- 475.26022 206.6
[M+Na-2H]- 437.22104 199.9
[M]+ 416.24582 192.7
[M]- 416.24692 192.7
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