CID 3060066

77636-82-9

Structural Information

Molecular Formula

C₁₀H₉IN₄O

SMILES

COC1=C(C=C(C=C1)I)N=NC2=NC=CN2

InChI

InChI=1S/C10H9IN4O/c1-16-9-3-2-7(11)6-8(9)14-15-10-12-4-5-13-10/h2-6H,1H3,(H,12,13)

InChIKey

INNOLDZJKGBEHK-UHFFFAOYSA-N

Compound name

1H-imidazol-2-yl-(5-iodo-2-methoxyphenyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 327.98212 Da
Monoisotopic Mass: 2.8
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]+	328.98940	159.7
[M+Na]+	350.97134	164.0
[M+NH4]+	346.01594	162.7
[M+K]+	366.94528	162.4
[M-H]-	326.97484	156.9
[M+Na-2H]-	348.95679	155.0
[M]+	327.98157	158.2
[M]-	327.98267	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe