CID 394403

Nsc697862

Structural Information

Molecular Formula
C23H23ClN2
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C23H23ClN2/c24-19-4-1-17(2-5-19)22-25-20-6-3-18(10-21(20)26-22)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,25,26)
InChIKey
QXFPTCDQUPDGJJ-UHFFFAOYSA-N
Compound name
6-(1-adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15497 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16225 177.8
[M+Na]+ 385.14419 182.9
[M-H]- 361.14769 176.8
[M+NH4]+ 380.18879 197.0
[M+K]+ 401.11813 173.7
[M+H-H2O]+ 345.15223 166.1
[M+HCOO]- 407.15317 178.1
[M+CH3COO]- 421.16882 184.4
[M+Na-2H]- 383.12964 184.6
[M]+ 362.15442 178.9
[M]- 362.15552 178.9
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.