CID 2764127

3-[2-(1h-imidazol-1-yl)phenyl]-1h-1,2,4-triazole

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CC=C(C(=C1)C2=NC=NN2)N3C=CN=C3
InChI
InChI=1S/C11H9N5/c1-2-4-10(16-6-5-12-8-16)9(3-1)11-13-7-14-15-11/h1-8H,(H,13,14,15)
InChIKey
MEOQWPMLKZKWFI-UHFFFAOYSA-N
Compound name
5-(2-imidazol-1-ylphenyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09308 143.3
[M+Na]+ 234.07502 158.3
[M+NH4]+ 229.11962 150.5
[M+K]+ 250.04896 155.4
[M-H]- 210.07852 145.9
[M+Na-2H]- 232.06047 154.1
[M]+ 211.08525 146.1
[M]- 211.08635 146.1
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

No patent data available for this compound.