CID 1350539

22492-49-5

Structural Information

Molecular Formula
C21H18N2
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C21H18N2/c1-3-9-17(10-4-1)15-21-22-19-13-7-8-14-20(19)23(21)16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKey
NHIAAIBSMYJLEC-UHFFFAOYSA-N
Compound name
1,2-dibenzylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

298.147 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.154276 171.2
[M+Na]+ 321.136218 180.2
[M-H]- 297.139724 179.2
[M+NH4]+ 316.180823 185.9
[M+K]+ 337.110158 172.7
[M+H-H2O]+ 281.144260 160.6
[M+HCOO]- 343.145201 193.6
[M+CH3COO]- 357.160851 182.7
[M+Na-2H]- 319.121666 177.2
[M]+ 298.14645142 172.4
[M]- 298.14754858 172.4
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