CID 3011571

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

Structural Information

Molecular Formula
C21H33N3O
SMILES
CCCCCNC(=O)CCC1=CN=C(N1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C21H33N3O/c1-2-3-4-7-22-19(25)6-5-18-13-23-21(24-18)20-16-9-14-8-15(11-16)12-17(20)10-14/h13-17,20H,2-12H2,1H3,(H,22,25)(H,23,24)
InChIKey
KPUFNPADXULOIK-UHFFFAOYSA-N
Compound name
3-[2-(2-adamantyl)-1H-imidazol-5-yl]-N-pentylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.26236 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.26964 183.3
[M+Na]+ 366.25158 182.2
[M-H]- 342.25508 176.6
[M+NH4]+ 361.29618 199.9
[M+K]+ 382.22552 176.8
[M+H-H2O]+ 326.25962 175.0
[M+HCOO]- 388.26056 186.4
[M+CH3COO]- 402.27621 187.8
[M+Na-2H]- 364.23703 186.7
[M]+ 343.26181 183.1
[M]- 343.26291 183.1
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.