PubChemLite - Methyl 4-((2-(2-(((4-methoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate (C26H25N3O6)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H25N3O6/c1-33-22-13-11-19(12-14-22)25(31)27-16-24(30)29-28-15-21-5-3-4-6-23(21)35-17-18-7-9-20(10-8-18)26(32)34-2/h3-15H,16-17H2,1-2H3,(H,27,31)(H,29,30)/b28-15+

InChIKey

AIQYIAXZMJAGBS-RWPZCVJISA-N

Compound name

methyl 4-[[2-[(E)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate

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	213.5
[M+Na]+	498.16357	215.7
[M-H]-	474.16707	223.6
[M+NH4]+	493.20817	219.6
[M+K]+	514.13751	213.6
[M+H-H2O]+	458.17161	201.2
[M+HCOO]-	520.17255	238.1
[M+CH3COO]-	534.18820	244.7
[M+Na-2H]-	496.14902	214.4
[M]+	475.17380	218.1
[M]-	475.17490	218.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.18163

213.5

[M+Na]+

498.16357

215.7

[M-H]-

474.16707

223.6

[M+NH4]+

493.20817

219.6

[M+K]+

514.13751

213.6

[M+H-H2O]+

458.17161

201.2

[M+HCOO]-

520.17255

238.1

[M+CH3COO]-

534.18820

244.7

[M+Na-2H]-

496.14902

214.4

[M]+

475.17380

218.1

[M]-

475.17490

218.1

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

Methyl 4-((2-(2-(((4-methoxybenzoyl)amino)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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