CID 3011572

3-[2-(2-adamantyl)-1h-imidazol-4-yl]-n-hexyl-propanamide

Structural Information

Molecular Formula
C22H35N3O
SMILES
CCCCCCNC(=O)CCC1=CN=C(N1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C22H35N3O/c1-2-3-4-5-8-23-20(26)7-6-19-14-24-22(25-19)21-17-10-15-9-16(12-17)13-18(21)11-15/h14-18,21H,2-13H2,1H3,(H,23,26)(H,24,25)
InChIKey
JKSOAEZMCLZOOF-UHFFFAOYSA-N
Compound name
3-[2-(2-adamantyl)-1H-imidazol-5-yl]-N-hexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.278 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.28528 187.7
[M+Na]+ 380.26722 186.1
[M-H]- 356.27072 180.8
[M+NH4]+ 375.31182 203.6
[M+K]+ 396.24116 180.5
[M+H-H2O]+ 340.27526 179.2
[M+HCOO]- 402.27620 190.4
[M+CH3COO]- 416.29185 191.7
[M+Na-2H]- 378.25267 190.5
[M]+ 357.27745 187.7
[M]- 357.27855 187.7
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

No patent data available for this compound.