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

7
Patents

378.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.238016 195.9
[M+Na]+ 401.219958 198.7
[M-H]- 377.223464 200.1
[M+NH4]+ 396.264563 204.3
[M+K]+ 417.193898 191.5
[M+H-H2O]+ 361.228000 183.8
[M+HCOO]- 423.228941 206.7
[M+CH3COO]- 437.244591 202.1
[M+Na-2H]- 399.205406 195.5
[M]+ 378.23019142 189.7
[M]- 378.23128858 189.7
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