PubChemLite - (dichloro-3',4' cinnamoyl)-5 dimethoxy-4,7 dimethylaminoethoxy-6 benzofuranne [french] (C23H23Cl2NO5)

Structural Information

Molecular Formula

SMILES

CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl)OC)OC

InChI

InChI=1S/C23H23Cl2NO5/c1-26(2)10-12-31-22-19(18(27)8-6-14-5-7-16(24)17(25)13-14)20(28-3)15-9-11-30-21(15)23(22)29-4/h5-9,11,13H,10,12H2,1-4H3/b8-6+

InChIKey

RVRGOLDKMPNVNM-SOFGYWHQSA-N

Compound name

(E)-3-(3,4-dichlorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one

Related CIDs

2D Structure

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]+	464.10262	210.3
[M+Na]+	486.08456	220.7
[M-H]-	462.08806	220.2
[M+NH4]+	481.12916	222.8
[M+K]+	502.05850	216.5
[M+H-H2O]+	446.09260	203.5
[M+HCOO]-	508.09354	224.7
[M+CH3COO]-	522.10919	237.7
[M+Na-2H]-	484.07001	208.9
[M]+	463.09479	225.6
[M]-	463.09589	225.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.10262

210.3

[M+Na]+

486.08456

220.7

[M-H]-

462.08806

220.2

[M+NH4]+

481.12916

222.8

[M+K]+

502.05850

216.5

[M+H-H2O]+

446.09260

203.5

[M+HCOO]-

508.09354

224.7

[M+CH3COO]-

522.10919

237.7

[M+Na-2H]-

484.07001

208.9

[M]+

463.09479

225.6

[M]-

463.09589

225.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(dichloro-3',4' cinnamoyl)-5 dimethoxy-4,7 dimethylaminoethoxy-6 benzofuranne [french]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe