Acetamide, n,n'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)- (C33H36N4O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CNCC(=O)NC2=CC=CC=C2OCC(COC3=CC=CC=C3NC(=O)CNCC4=CC=CC=C4)O

InChI

InChI=1S/C33H36N4O5/c38-27(23-41-30-17-9-7-15-28(30)36-32(39)21-34-19-25-11-3-1-4-12-25)24-42-31-18-10-8-16-29(31)37-33(40)22-35-20-26-13-5-2-6-14-26/h1-18,27,34-35,38H,19-24H2,(H,36,39)(H,37,40)

InChIKey

ARHOMGKWOROPHV-UHFFFAOYSA-N

Compound name

2-(benzylamino)-N-[2-[3-[2-[[2-(benzylamino)acetyl]amino]phenoxy]-2-hydroxypropoxy]phenyl]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]+	569.275826	231.6
[M+Na]+	591.257768	228.3
[M-H]-	567.261274	240.3
[M+NH4]+	586.302373	231.2
[M+K]+	607.231708	224.4
[M+H-H2O]+	551.265810	217.8
[M+HCOO]-	613.266751	252.3
[M+CH3COO]-	627.282401	260.9
[M+Na-2H]-	589.243216	233.1
[M]+	568.26800142	231.2
[M]-	568.26909858	231.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.275826

231.6

[M+Na]+

591.257768

228.3

[M-H]-

567.261274

240.3

[M+NH4]+

586.302373

231.2

[M+K]+

607.231708

224.4

[M+H-H2O]+

551.265810

217.8

[M+HCOO]-

613.266751

252.3

[M+CH3COO]-

627.282401

260.9

[M+Na-2H]-

589.243216

233.1

[M]+

568.26800142

231.2

[M]-

568.26909858

231.2

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

Acetamide, n,n'-((2-hydroxy-1,3-propanediyl)bis(oxy-2,1-phenylene))bis(2-((phenylmethyl)amino)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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