CID 147035

102390-63-6

Structural Information

Molecular Formula
C17H16N2
SMILES
C1=CC=C(C=C1)C(CC2=CN=CN2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2/c1-3-7-14(8-4-1)17(11-16-12-18-13-19-16)15-9-5-2-6-10-15/h1-10,12-13,17H,11H2,(H,18,19)
InChIKey
CGWCKWISXYESMC-UHFFFAOYSA-N
Compound name
5-(2,2-diphenylethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

248.13135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 157.2
[M+Na]+ 271.12057 163.0
[M-H]- 247.12407 162.4
[M+NH4]+ 266.16517 171.8
[M+K]+ 287.09451 157.1
[M+H-H2O]+ 231.12861 147.5
[M+HCOO]- 293.12955 177.5
[M+CH3COO]- 307.14520 168.1
[M+Na-2H]- 269.10602 161.8
[M]+ 248.13080 154.0
[M]- 248.13190 154.0
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.