PubChemLite - 223472-31-9 (C22H28N2O6)

Structural Information

Molecular Formula

SMILES

CCOCOC[C@H](C[C@H](C)C(=O)NO)NC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6/c1-3-28-15-29-14-18(13-16(2)21(25)24-27)23-22(26)17-9-11-20(12-10-17)30-19-7-5-4-6-8-19/h4-12,16,18,27H,3,13-15H2,1-2H3,(H,23,26)(H,24,25)/t16-,18-/m0/s1

InChIKey

HDWWQELUBWGQGA-WMZOPIPTSA-N

Compound name

N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide

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]+	417.20201	199.7
[M+Na]+	439.18395	199.9
[M-H]-	415.18745	203.4
[M+NH4]+	434.22855	207.3
[M+K]+	455.15789	198.7
[M+H-H2O]+	399.19199	189.6
[M+HCOO]-	461.19293	219.3
[M+CH3COO]-	475.20858	228.0
[M+Na-2H]-	437.16940	198.8
[M]+	416.19418	202.9
[M]-	416.19528	202.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.20201

199.7

[M+Na]+

439.18395

199.9

[M-H]-

415.18745

203.4

[M+NH4]+

434.22855

207.3

[M+K]+

455.15789

198.7

[M+H-H2O]+

399.19199

189.6

[M+HCOO]-

461.19293

219.3

[M+CH3COO]-

475.20858

228.0

[M+Na-2H]-

437.16940

198.8

[M]+

416.19418

202.9

[M]-

416.19528

202.9

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

223472-31-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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