CID 135608350

Einecs 243-489-8

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₄

SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-3-19(4-2)11-5-7-13(16(22)10-11)17-18-14-9-12(20(23)24)6-8-15(14)21/h5-10,21-22H,3-4H2,1-2H3

InChIKey

MGTPWASODZUAAB-UHFFFAOYSA-N

Compound name

5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 330.1328 Da
Monoisotopic Mass: 3.7
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]+	331.140076	173.6
[M+Na]+	353.122018	178.6
[M-H]-	329.125524	181.9
[M+NH4]+	348.166623	186.2
[M+K]+	369.095958	172.8
[M+H-H2O]+	313.130060	168.7
[M+HCOO]-	375.131001	202.1
[M+CH3COO]-	389.146651	214.9
[M+Na-2H]-	351.107466	179.7
[M]+	330.13225142	174.6
[M]-	330.13334858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe