CID 75586

2475-43-6

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₃

SMILES

CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)N

InChI

InChI=1S/C14H14N4O3/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)18(19)20/h3-8H,15H2,1-2H3

InChIKey

TUSSBGHDSRBBFW-UHFFFAOYSA-N

Compound name

2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 61
Patents: 286.1066 Da
Monoisotopic Mass: 3.2
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]+	287.113876	162.3
[M+Na]+	309.095818	169.2
[M-H]-	285.099324	171.8
[M+NH4]+	304.140423	177.4
[M+K]+	325.069758	163.0
[M+H-H2O]+	269.103860	157.7
[M+HCOO]-	331.104801	193.1
[M+CH3COO]-	345.120451	207.8
[M+Na-2H]-	307.081266	169.7
[M]+	286.10605142	162.7
[M]-	286.10714858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe