PubChemLite - 769148-55-2 (C26H25N3O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H25N3O7/c1-4-35-23-14-17(8-13-22(23)36-26(32)18-9-11-20(33-2)12-10-18)16-27-29-25(31)24(30)28-19-6-5-7-21(15-19)34-3/h5-16H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-16+

InChIKey

JUBXONXYYILGEP-JVWAILMASA-N

Compound name

[2-ethoxy-4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 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]+	492.17653	216.4
[M+Na]+	514.15847	219.2
[M-H]-	490.16197	226.9
[M+NH4]+	509.20307	222.1
[M+K]+	530.13241	218.2
[M+H-H2O]+	474.16651	204.1
[M+HCOO]-	536.16745	241.1
[M+CH3COO]-	550.18310	247.7
[M+Na-2H]-	512.14392	216.8
[M]+	491.16870	222.7
[M]-	491.16980	222.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.17653

216.4

[M+Na]+

514.15847

219.2

[M-H]-

490.16197

226.9

[M+NH4]+

509.20307

222.1

[M+K]+

530.13241

218.2

[M+H-H2O]+

474.16651

204.1

[M+HCOO]-

536.16745

241.1

[M+CH3COO]-

550.18310

247.7

[M+Na-2H]-

512.14392

216.8

[M]+

491.16870

222.7

[M]-

491.16980

222.7

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

769148-55-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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