CID 6448093

2(1h)-quinolinone, 3,4-dihydro-6-(3-(3,6-dihydro-4-(2-methoxyphenyl)-1(2h)-pyridinyl)-1-propenyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C24H26N2O2
SMILES
COC1=CC=CC=C1C2=CCN(CC2)C/C=C/C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C24H26N2O2/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/h2-8,10,12,17H,9,11,13-16H2,1H3,(H,25,27)/b5-4+
InChIKey
WJWCCJHFYAFFNN-SNAWJCMRSA-N
Compound name
6-[(E)-3-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 194.2
[M+Na]+ 397.18865 198.5
[M-H]- 373.19215 199.0
[M+NH4]+ 392.23325 202.9
[M+K]+ 413.16259 190.5
[M+H-H2O]+ 357.19669 182.3
[M+HCOO]- 419.19763 206.7
[M+CH3COO]- 433.21328 201.1
[M+Na-2H]- 395.17410 194.9
[M]+ 374.19888 188.7
[M]- 374.19998 188.7
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

No patent data available for this compound.