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

3
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

literature stripe

Patent stripe

patents stripe