CID 3007430

1-[imidazol-1-yl(phenyl)methyl]imidazole

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC=C(C=C1)C(N2C=CN=C2)N3C=CN=C3
InChI
InChI=1S/C13H12N4/c1-2-4-12(5-3-1)13(16-8-6-14-10-16)17-9-7-15-11-17/h1-11,13H
InChIKey
CFUFQYGMVSPEFM-UHFFFAOYSA-N
Compound name
1-[imidazol-1-yl(phenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

224.1062 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 146.8
[M+Na]+ 247.09542 155.7
[M-H]- 223.09892 152.0
[M+NH4]+ 242.14002 162.3
[M+K]+ 263.06936 151.8
[M+H-H2O]+ 207.10346 136.2
[M+HCOO]- 269.10440 169.5
[M+CH3COO]- 283.12005 159.4
[M+Na-2H]- 245.08087 151.9
[M]+ 224.10565 147.5
[M]- 224.10675 147.5
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.