CID 3007433

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

Structural Information

Molecular Formula
C19H16N4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(N3C=CN=C3)N4C=CN=C4
InChI
InChI=1S/C19H16N4/c1-3-7-17(8-4-1)19(22-13-11-20-15-22,23-14-12-21-16-23)18-9-5-2-6-10-18/h1-16H
InChIKey
AUGBLNBLUKUREA-UHFFFAOYSA-N
Compound name
1-[imidazol-1-yl(diphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.13748 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14476 168.2
[M+Na]+ 323.12670 176.3
[M-H]- 299.13020 176.3
[M+NH4]+ 318.17130 180.0
[M+K]+ 339.10064 170.1
[M+H-H2O]+ 283.13474 156.6
[M+HCOO]- 345.13568 189.1
[M+CH3COO]- 359.15133 179.2
[M+Na-2H]- 321.11215 173.9
[M]+ 300.13693 168.1
[M]- 300.13803 168.1
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

No patent data available for this compound.