PubChemLite - Einecs 267-498-1 (C24H24N6O8)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C24H24N6O8/c1-15(31)26-20-11-22(25-13-17(32)14-38-18-6-4-3-5-7-18)24(37-2)12-21(20)28-27-19-9-8-16(29(33)34)10-23(19)30(35)36/h3-12,17,25,32H,13-14H2,1-2H3,(H,26,31)

InChIKey

MYRJIGORVBOITE-UHFFFAOYSA-N

Compound name

N-[2-[(2,4-dinitrophenyl)diazenyl]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide

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]+	525.17288	216.0
[M+Na]+	547.15482	214.0
[M-H]-	523.15832	225.2
[M+NH4]+	542.19942	217.4
[M+K]+	563.12876	205.1
[M+H-H2O]+	507.16286	211.3
[M+HCOO]-	569.16380	242.0
[M+CH3COO]-	583.17945	244.5
[M+Na-2H]-	545.14027	222.7
[M]+	524.16505	215.1
[M]-	524.16615	215.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.17288

216.0

[M+Na]+

547.15482

214.0

[M-H]-

523.15832

225.2

[M+NH4]+

542.19942

217.4

[M+K]+

563.12876

205.1

[M+H-H2O]+

507.16286

211.3

[M+HCOO]-

569.16380

242.0

[M+CH3COO]-

583.17945

244.5

[M+Na-2H]-

545.14027

222.7

[M]+

524.16505

215.1

[M]-

524.16615

215.1

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

Einecs 267-498-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe