1-(2-(((4-ethoxybenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate (C31H29N3O6)

Structural Information

Molecular Formula

SMILES

CCOC1=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)OCC

InChI

InChI=1S/C31H29N3O6/c1-3-38-24-14-9-22(10-15-24)30(36)32-20-29(35)34-33-19-27-26-8-6-5-7-21(26)13-18-28(27)40-31(37)23-11-16-25(17-12-23)39-4-2/h5-19H,3-4,20H2,1-2H3,(H,32,36)(H,34,35)/b33-19+

InChIKey

VGBPFIFODXRCCA-HNSNBQBZSA-N

Compound name

[1-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate

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]+	540.212876	230.1
[M+Na]+	562.194818	231.7
[M-H]-	538.198324	240.4
[M+NH4]+	557.239423	234.3
[M+K]+	578.168758	228.9
[M+H-H2O]+	522.202860	217.0
[M+HCOO]-	584.203801	252.2
[M+CH3COO]-	598.219451	258.2
[M+Na-2H]-	560.180266	231.3
[M]+	539.20505142	235.2
[M]-	539.20614858	235.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.212876

230.1

[M+Na]+

562.194818

231.7

[M-H]-

538.198324

240.4

[M+NH4]+

557.239423

234.3

[M+K]+

578.168758

228.9

[M+H-H2O]+

522.202860

217.0

[M+HCOO]-

584.203801

252.2

[M+CH3COO]-

598.219451

258.2

[M+Na-2H]-

560.180266

231.3

[M]+

539.20505142

235.2

[M]-

539.20614858

235.2

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

1-(2-(((4-ethoxybenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe