CID 46834623

923571-20-4

Structural Information

Molecular Formula

C₂₄H₂₅NO₃

SMILES

COC1=C(C=C2C(=C1)C/C(=C\C3=CCN(CC3)CC4=CC=CC=C4)/C2=O)OC

InChI

InChI=1S/C24H25NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-8,12,14-15H,9-11,13,16H2,1-2H3/b20-12+

InChIKey

COHPXOXOTGQWNU-UDWIEESQSA-N

Compound name

(2E)-2-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 375.18344 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	376.190716	192.7
[M+Na]+	398.172658	199.2
[M-H]-	374.176164	201.5
[M+NH4]+	393.217263	205.9
[M+K]+	414.146598	193.0
[M+H-H2O]+	358.180700	182.7
[M+HCOO]-	420.181641	210.7
[M+CH3COO]-	434.197291	202.3
[M+Na-2H]-	396.158106	191.2
[M]+	375.18289142	192.8
[M]-	375.18398858	192.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe