CID 54832

Ethyl red

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H19N3O2/c1-3-20(4-2)14-11-9-13(10-12-14)18-19-16-8-6-5-7-15(16)17(21)22/h5-12H,3-4H2,1-2H3,(H,21,22)

InChIKey

HBRCDTRQDHMTDA-UHFFFAOYSA-N

Compound name

2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1068
Patents: 297.14774 Da
Monoisotopic Mass: 4.1
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]+	298.15502	171.2
[M+Na]+	320.13696	182.9
[M+NH4]+	315.18156	178.5
[M+K]+	336.11090	175.8
[M-H]-	296.14046	177.1
[M+Na-2H]-	318.12241	179.9
[M]+	297.14719	174.3
[M]-	297.14829	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe