PubChemLite - 43229-70-5 (C33H36N2O4)

Structural Information

Molecular Formula

SMILES

CC(CC1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)NC=O)O

InChI

InChI=1S/C33H36N2O4/c1-25(19-26-13-16-30(38-2)17-14-26)35(21-27-9-5-3-6-10-27)22-32(37)29-15-18-33(31(20-29)34-24-36)39-23-28-11-7-4-8-12-28/h3-18,20,24-25,32,37H,19,21-23H2,1-2H3,(H,34,36)

InChIKey

RVGUTXYKHMDBPX-UHFFFAOYSA-N

Compound name

N-[5-[2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide

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]+	525.27478	235.2
[M+Na]+	547.25672	248.4
[M+NH4]+	542.30132	240.8
[M+K]+	563.23066	239.0
[M-H]-	523.26022	244.0
[M+Na-2H]-	545.24217	245.5
[M]+	524.26695	239.6
[M]-	524.26805	239.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.27478

235.2

[M+Na]+

547.25672

248.4

[M+NH4]+

542.30132

240.8

[M+K]+

563.23066

239.0

[M-H]-

523.26022

244.0

[M+Na-2H]-

545.24217

245.5

[M]+

524.26695

239.6

[M]-

524.26805

239.6

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

43229-70-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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