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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.98940 154.7
[M+Na]+ 350.97134 156.3
[M-H]- 326.97484 153.4
[M+NH4]+ 346.01594 167.3
[M+K]+ 366.94528 159.4
[M+H-H2O]+ 310.97938 142.1
[M+HCOO]- 372.98032 176.8
[M+CH3COO]- 386.99597 201.0
[M+Na-2H]- 348.95679 149.8
[M]+ 327.98157 153.3
[M]- 327.98267 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe