PubChemLite - Einecs 273-359-6 (C19H21ClN6O7)

Structural Information

Molecular Formula

SMILES

CCNC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OCCOC

InChI

InChI=1S/C19H21ClN6O7/c1-4-21-16-9-14(22-11(2)27)15(10-18(16)33-6-5-32-3)23-24-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10,21H,4-6H2,1-3H3,(H,22,27)

InChIKey

MGMDGPHTYZIJCK-UHFFFAOYSA-N

Compound name

N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]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]+	481.12331	211.2
[M+Na]+	503.10525	213.3
[M-H]-	479.10875	219.3
[M+NH4]+	498.14985	248.3
[M+K]+	519.07919	203.5
[M+H-H2O]+	463.11329	209.8
[M+HCOO]-	525.11423	258.1
[M+CH3COO]-	539.12988	238.1
[M+Na-2H]-	501.09070	216.8
[M]+	480.11548	215.3
[M]-	480.11658	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

481.12331

211.2

[M+Na]+

503.10525

213.3

[M-H]-

479.10875

219.3

[M+NH4]+

498.14985

248.3

[M+K]+

519.07919

203.5

[M+H-H2O]+

463.11329

209.8

[M+HCOO]-

525.11423

258.1

[M+CH3COO]-

539.12988

238.1

[M+Na-2H]-

501.09070

216.8

[M]+

480.11548

215.3

[M]-

480.11658

215.3

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

Einecs 273-359-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe