2-ethoxy-4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl benzoate (C28H23N3O5)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O5/c1-2-35-25-17-19(15-16-24(25)36-28(34)21-10-4-3-5-11-21)18-29-31-27(33)26(32)30-23-14-8-12-20-9-6-7-13-22(20)23/h3-18H,2H2,1H3,(H,30,32)(H,31,33)/b29-18+

InChIKey

KYUNYIYGNIBHRN-RDRPBHBLSA-N

Compound name

[2-ethoxy-4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 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]+	482.171036	214.5
[M+Na]+	504.152978	217.1
[M-H]-	480.156484	225.1
[M+NH4]+	499.197583	221.1
[M+K]+	520.126918	213.6
[M+H-H2O]+	464.161020	202.1
[M+HCOO]-	526.161961	237.7
[M+CH3COO]-	540.177611	245.6
[M+Na-2H]-	502.138426	217.6
[M]+	481.16321142	216.8
[M]-	481.16430858	216.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.171036

214.5

[M+Na]+

504.152978

217.1

[M-H]-

480.156484

225.1

[M+NH4]+

499.197583

221.1

[M+K]+

520.126918

213.6

[M+H-H2O]+

464.161020

202.1

[M+HCOO]-

526.161961

237.7

[M+CH3COO]-

540.177611

245.6

[M+Na-2H]-

502.138426

217.6

[M]+

481.16321142

216.8

[M]-

481.16430858

216.8

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

2-ethoxy-4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe