765298-53-1 (C32H32N2O7)

Structural Information

Molecular Formula

SMILES

CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H32N2O7/c1-4-5-18-39-24-12-14-25(15-13-24)40-21-31(35)34-33-20-27-26-9-7-6-8-22(26)10-16-28(27)41-32(36)23-11-17-29(37-2)30(19-23)38-3/h6-17,19-20H,4-5,18,21H2,1-3H3,(H,34,35)/b33-20+

InChIKey

GABXYKLOMHGYKC-FMFFXOCNSA-N

Compound name

[1-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate

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]+	557.228226	236.2
[M+Na]+	579.210168	238.7
[M-H]-	555.213674	246.5
[M+NH4]+	574.254773	240.2
[M+K]+	595.184108	236.4
[M+H-H2O]+	539.218210	222.5
[M+HCOO]-	601.219151	257.7
[M+CH3COO]-	615.234801	259.5
[M+Na-2H]-	577.195616	236.5
[M]+	556.22040142	245.2
[M]-	556.22149858	245.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.228226

236.2

[M+Na]+

579.210168

238.7

[M-H]-

555.213674

246.5

[M+NH4]+

574.254773

240.2

[M+K]+

595.184108

236.4

[M+H-H2O]+

539.218210

222.5

[M+HCOO]-

601.219151

257.7

[M+CH3COO]-

615.234801

259.5

[M+Na-2H]-

577.195616

236.5

[M]+

556.22040142

245.2

[M]-

556.22149858

245.2

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

765298-53-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe