CID 94592

60129-67-1

Structural Information

Molecular Formula

C₁₆H₁₇N₅O₆

SMILES

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO

InChI

InChI=1S/C16H17N5O6/c22-9-7-19(8-10-23)13-3-1-12(2-4-13)17-18-15-6-5-14(20(24)25)11-16(15)21(26)27/h1-6,11,22-23H,7-10H2

InChIKey

SHWMLKYICHRJFM-UHFFFAOYSA-N

Compound name

2-[4-[(2,4-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 375.1179 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

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]+	376.125176	180.7
[M+Na]+	398.107118	182.2
[M-H]-	374.110624	187.8
[M+NH4]+	393.151723	189.3
[M+K]+	414.081058	172.8
[M+H-H2O]+	358.115160	179.1
[M+HCOO]-	420.116101	208.7
[M+CH3COO]-	434.131751	215.0
[M+Na-2H]-	396.092566	189.2
[M]+	375.11735142	179.1
[M]-	375.11844858	179.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe