CID 3067105

2(1h)-quinolinone, 3,4-dihydro-6-(3-(4-(2-methoxyphenyl)-1-piperidinyl)propyl)-, ethanedioate(1:1)

Structural Information

Molecular Formula
C24H30N2O2
SMILES
COC1=CC=CC=C1C2CCN(CC2)CCCC3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C24H30N2O2/c1-28-23-7-3-2-6-21(23)19-12-15-26(16-13-19)14-4-5-18-8-10-22-20(17-18)9-11-24(27)25-22/h2-3,6-8,10,17,19H,4-5,9,11-16H2,1H3,(H,25,27)
InChIKey
PXBHYYBEBZNZTJ-UHFFFAOYSA-N
Compound name
6-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

378.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 197.1
[M+Na]+ 401.21996 210.9
[M+NH4]+ 396.26456 204.8
[M+K]+ 417.19390 201.3
[M-H]- 377.22346 202.8
[M+Na-2H]- 399.20541 203.7
[M]+ 378.23019 200.7
[M]- 378.23129 200.7
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