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]+ 375.206706 194.2
[M+Na]+ 397.188648 198.5
[M-H]- 373.192154 199.0
[M+NH4]+ 392.233253 202.9
[M+K]+ 413.162588 190.5
[M+H-H2O]+ 357.196690 182.3
[M+HCOO]- 419.197631 206.7
[M+CH3COO]- 433.213281 201.1
[M+Na-2H]- 395.174096 194.9
[M]+ 374.19888142 188.7
[M]- 374.19997858 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.