CID 516778

Chembl3276695

Structural Information

Molecular Formula
C22H33NO
SMILES
C1CC2CC3CCC2C(C1)(C3)C(=O)NC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C22H33NO/c24-20(22-5-1-2-18-9-14(13-22)3-4-19(18)22)23-21-10-15-6-16(11-21)8-17(7-15)12-21/h14-19H,1-13H2,(H,23,24)
InChIKey
FGGMSMSZYGQTPF-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)tricyclo[5.3.1.03,8]undecane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.25623 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.26351 163.8
[M+Na]+ 350.24545 156.5
[M-H]- 326.24895 154.8
[M+NH4]+ 345.29005 185.4
[M+K]+ 366.21939 150.2
[M+H-H2O]+ 310.25349 148.9
[M+HCOO]- 372.25443 154.2
[M+CH3COO]- 386.27008 164.8
[M+Na-2H]- 348.23090 170.8
[M]+ 327.25568 156.1
[M]- 327.25678 156.1
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.