PubChemLite - 769156-78-7 (C25H23N3O6)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H23N3O6/c1-3-33-22-15-17(16-26-28-24(30)23(29)27-19-7-5-4-6-8-19)9-14-21(22)34-25(31)18-10-12-20(32-2)13-11-18/h4-16H,3H2,1-2H3,(H,27,29)(H,28,30)/b26-16+

InChIKey

TWPBHGDUECVGCI-WGOQTCKBSA-N

Compound name

[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 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]+	462.16598	209.5
[M+Na]+	484.14792	212.2
[M-H]-	460.15142	219.8
[M+NH4]+	479.19252	216.3
[M+K]+	500.12186	210.3
[M+H-H2O]+	444.15596	197.5
[M+HCOO]-	506.15690	234.5
[M+CH3COO]-	520.17255	241.2
[M+Na-2H]-	482.13337	210.9
[M]+	461.15815	213.7
[M]-	461.15925	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.16598

209.5

[M+Na]+

484.14792

212.2

[M-H]-

460.15142

219.8

[M+NH4]+

479.19252

216.3

[M+K]+

500.12186

210.3

[M+H-H2O]+

444.15596

197.5

[M+HCOO]-

506.15690

234.5

[M+CH3COO]-

520.17255

241.2

[M+Na-2H]-

482.13337

210.9

[M]+

461.15815

213.7

[M]-

461.15925

213.7

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

769156-78-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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