CID 5933683

23114-26-3

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

CN(C)C1=C(C=C(C(=C1)OC)/C=C/2\CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C20H21NO3/c1-21(2)17-12-18(23-3)14(11-19(17)24-4)10-15-9-13-7-5-6-8-16(13)20(15)22/h5-8,10-12H,9H2,1-4H3/b15-10+

InChIKey

PVRUZULHOQUFQS-XNTDXEJSSA-N

Compound name

(2E)-2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]methylidene]-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 323.15213 Da
Monoisotopic Mass: 3.9
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]+	324.159406	176.3
[M+Na]+	346.141348	184.7
[M-H]-	322.144854	185.8
[M+NH4]+	341.185953	194.2
[M+K]+	362.115288	181.1
[M+H-H2O]+	306.149390	168.7
[M+HCOO]-	368.150331	200.2
[M+CH3COO]-	382.165981	215.9
[M+Na-2H]-	344.126796	176.9
[M]+	323.15158142	180.8
[M]-	323.15267858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe