PubChemLite - 764655-60-9 (C31H29N3O6)

Structural Information

Molecular Formula

SMILES

CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H29N3O6/c1-3-18-39-25-15-8-22(9-16-25)30(36)32-20-29(35)34-33-19-27-26-7-5-4-6-21(26)12-17-28(27)40-31(37)23-10-13-24(38-2)14-11-23/h4-17,19H,3,18,20H2,1-2H3,(H,32,36)(H,34,35)/b33-19+

InChIKey

GVSSOACWKVATPP-HNSNBQBZSA-N

Compound name

[1-[(E)-[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate

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]+	540.21288	230.1
[M+Na]+	562.19482	231.7
[M-H]-	538.19832	240.4
[M+NH4]+	557.23942	234.3
[M+K]+	578.16876	228.9
[M+H-H2O]+	522.20286	217.0
[M+HCOO]-	584.20380	252.2
[M+CH3COO]-	598.21945	258.2
[M+Na-2H]-	560.18027	231.3
[M]+	539.20505	235.2
[M]-	539.20615	235.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.21288

230.1

[M+Na]+

562.19482

231.7

[M-H]-

538.19832

240.4

[M+NH4]+

557.23942

234.3

[M+K]+

578.16876

228.9

[M+H-H2O]+

522.20286

217.0

[M+HCOO]-

584.20380

252.2

[M+CH3COO]-

598.21945

258.2

[M+Na-2H]-

560.18027

231.3

[M]+

539.20505

235.2

[M]-

539.20615

235.2

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

764655-60-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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