PubChemLite - 41226-04-4 (C24H27NO7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H27NO7/c1-25(2)12-14-32-23-19(21(29-4)16-11-13-31-22(16)24(23)30-5)17(26)10-9-15-7-6-8-18(28-3)20(15)27/h6-11,13,27H,12,14H2,1-5H3/b10-9+

InChIKey

ZDLUNPJQHMAANM-MDZDMXLPSA-N

Compound name

(E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-hydroxy-3-methoxyphenyl)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]+	442.18602	206.0
[M+Na]+	464.16796	213.6
[M-H]-	440.17146	215.1
[M+NH4]+	459.21256	216.7
[M+K]+	480.14190	212.9
[M+H-H2O]+	424.17600	197.4
[M+HCOO]-	486.17694	228.3
[M+CH3COO]-	500.19259	235.9
[M+Na-2H]-	462.15341	205.4
[M]+	441.17819	218.9
[M]-	441.17929	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.18602

206.0

[M+Na]+

464.16796

213.6

[M-H]-

440.17146

215.1

[M+NH4]+

459.21256

216.7

[M+K]+

480.14190

212.9

[M+H-H2O]+

424.17600

197.4

[M+HCOO]-

486.17694

228.3

[M+CH3COO]-

500.19259

235.9

[M+Na-2H]-

462.15341

205.4

[M]+

441.17819

218.9

[M]-

441.17929

218.9

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

41226-04-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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