CID 17886

Disperse red 1

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₃

SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3

InChIKey

FOQABOMYTOFLPZ-UHFFFAOYSA-N

Compound name

2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 34
References: 3415
Patents: 314.13788 Da
Monoisotopic Mass: 3.3
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]+	315.14516	172.2
[M+Na]+	337.12710	184.3
[M+NH4]+	332.17170	179.4
[M+K]+	353.10104	179.8
[M-H]-	313.13060	179.5
[M+Na-2H]-	335.11255	180.9
[M]+	314.13733	175.7
[M]-	314.13843	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe