CID 64189

23280-73-1

Structural Information

Molecular Formula
C17H20N2
SMILES
C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C17H20N2/c1-2-4-15-14(3-1)18-16(19-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,19)
InChIKey
VZJQLKDAEBGCCW-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

252.16264 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 151.7
[M+Na]+ 275.15186 155.8
[M-H]- 251.15536 147.9
[M+NH4]+ 270.19646 174.7
[M+K]+ 291.12580 149.1
[M+H-H2O]+ 235.15990 141.7
[M+HCOO]- 297.16084 157.2
[M+CH3COO]- 311.17649 159.8
[M+Na-2H]- 273.13731 161.7
[M]+ 252.16209 150.7
[M]- 252.16319 150.7
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