PubChemLite - 4-(2-(((3,4-dimethoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 2-methylbenzoate (C26H25N3O6)

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H25N3O6/c1-17-6-4-5-7-21(17)26(32)35-20-11-8-18(9-12-20)15-28-29-24(30)16-27-25(31)19-10-13-22(33-2)23(14-19)34-3/h4-15H,16H2,1-3H3,(H,27,31)(H,29,30)/b28-15+

InChIKey

PWOXWMVGWBOOKI-RWPZCVJISA-N

Compound name

[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate

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]+	476.18163	214.1
[M+Na]+	498.16357	217.2
[M-H]-	474.16707	224.6
[M+NH4]+	493.20817	220.6
[M+K]+	514.13751	215.3
[M+H-H2O]+	458.17161	202.1
[M+HCOO]-	520.17255	238.8
[M+CH3COO]-	534.18820	246.1
[M+Na-2H]-	496.14902	214.3
[M]+	475.17380	219.2
[M]-	475.17490	219.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.18163

214.1

[M+Na]+

498.16357

217.2

[M-H]-

474.16707

224.6

[M+NH4]+

493.20817

220.6

[M+K]+

514.13751

215.3

[M+H-H2O]+

458.17161

202.1

[M+HCOO]-

520.17255

238.8

[M+CH3COO]-

534.18820

246.1

[M+Na-2H]-

496.14902

214.3

[M]+

475.17380

219.2

[M]-

475.17490

219.2

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

4-(2-(((3,4-dimethoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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