CID 12000797

Ar-9281

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CC(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
InChIKey
HUDQLWBKJOMXSZ-UHFFFAOYSA-N
Compound name
1-(1-acetylpiperidin-4-yl)-3-(1-adamantyl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

181
Patents

319.22598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.233256 170.5
[M+Na]+ 342.215198 167.7
[M-H]- 318.218704 165.3
[M+NH4]+ 337.259803 189.0
[M+K]+ 358.189138 164.9
[M+H-H2O]+ 302.223240 162.0
[M+HCOO]- 364.224181 172.3
[M+CH3COO]- 378.239831 175.2
[M+Na-2H]- 340.200646 177.3
[M]+ 319.22543142 164.9
[M]- 319.22652858 164.9
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

patents stripe