PubChemLite - Disperse red 167 (C23H26ClN5O7)

Structural Information

Molecular Formula

SMILES

CCC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H26ClN5O7/c1-4-23(32)25-22-14-17(28(9-11-35-15(2)30)10-12-36-16(3)31)5-8-21(22)27-26-20-7-6-18(29(33)34)13-19(20)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,32)

InChIKey

ZDORFLXCSSFUIE-UHFFFAOYSA-N

Compound name

2-[N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-3-(propanoylamino)anilino]ethyl acetate

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]+	520.15938	217.8
[M+Na]+	542.14132	226.2
[M+NH4]+	537.18592	220.2
[M+K]+	558.11526	224.2
[M-H]-	518.14482	222.1
[M+Na-2H]-	540.12677	221.7
[M]+	519.15155	219.7
[M]-	519.15265	219.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.15938

217.8

[M+Na]+

542.14132

226.2

[M+NH4]+

537.18592

220.2

[M+K]+

558.11526

224.2

[M-H]-

518.14482

222.1

[M+Na-2H]-

540.12677

221.7

[M]+

519.15155

219.7

[M]-

519.15265

219.7

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

Disperse red 167

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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