PubChemLite - 1699-40-7 (C32H33NO5)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C32H33NO5/c1-35-28-15-14-27(20-31(28)38-23-26-11-7-4-8-12-26)21-32(34)33-18-17-24-13-16-29(30(19-24)36-2)37-22-25-9-5-3-6-10-25/h3-16,19-20H,17-18,21-23H2,1-2H3,(H,33,34)

InChIKey

KLWHDTDRLRBMKJ-UHFFFAOYSA-N

Compound name

2-(4-methoxy-3-phenylmethoxyphenyl)-N-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]acetamide

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]+	512.24315	228.9
[M+Na]+	534.22509	231.5
[M-H]-	510.22859	240.0
[M+NH4]+	529.26969	233.3
[M+K]+	550.19903	226.6
[M+H-H2O]+	494.23313	215.2
[M+HCOO]-	556.23407	249.9
[M+CH3COO]-	570.24972	246.3
[M+Na-2H]-	532.21054	228.5
[M]+	511.23532	234.3
[M]-	511.23642	234.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.24315

228.9

[M+Na]+

534.22509

231.5

[M-H]-

510.22859

240.0

[M+NH4]+

529.26969

233.3

[M+K]+

550.19903

226.6

[M+H-H2O]+

494.23313

215.2

[M+HCOO]-

556.23407

249.9

[M+CH3COO]-

570.24972

246.3

[M+Na-2H]-

532.21054

228.5

[M]+

511.23532

234.3

[M]-

511.23642

234.3

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

1699-40-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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