CID 3011573

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

Structural Information

Molecular Formula
C23H37N3O
SMILES
CCCCCCCNC(=O)CCC1=CN=C(N1)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C23H37N3O/c1-2-3-4-5-6-9-24-21(27)8-7-20-15-25-23(26-20)22-18-11-16-10-17(13-18)14-19(22)12-16/h15-19,22H,2-14H2,1H3,(H,24,27)(H,25,26)
InChIKey
LOVVUDWKPQFKHY-UHFFFAOYSA-N
Compound name
3-[2-(2-adamantyl)-1H-imidazol-5-yl]-N-heptylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.29367 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.30095 192.1
[M+Na]+ 394.28289 189.9
[M-H]- 370.28639 184.9
[M+NH4]+ 389.32749 207.4
[M+K]+ 410.25683 184.2
[M+H-H2O]+ 354.29093 183.3
[M+HCOO]- 416.29187 194.4
[M+CH3COO]- 430.30752 195.6
[M+Na-2H]- 392.26834 194.4
[M]+ 371.29312 192.3
[M]- 371.29422 192.3
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.