CID 394400

Nsc697859

Structural Information

Molecular Formula
C24H26N2O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)OCC6=CC=CC=C6
InChI
InChI=1S/C24H26N2O/c1-2-4-16(5-3-1)15-27-23-25-21-7-6-20(11-22(21)26-23)24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19H,8-10,12-15H2,(H,25,26)
InChIKey
HGOSHFAUMBCDIS-UHFFFAOYSA-N
Compound name
6-(1-adamantyl)-2-phenylmethoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2045 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21178 175.4
[M+Na]+ 381.19372 178.0
[M-H]- 357.19722 174.1
[M+NH4]+ 376.23832 193.5
[M+K]+ 397.16766 170.4
[M+H-H2O]+ 341.20176 162.8
[M+HCOO]- 403.20270 179.8
[M+CH3COO]- 417.21835 181.5
[M+Na-2H]- 379.17917 183.4
[M]+ 358.20395 175.5
[M]- 358.20505 175.5
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.