CID 2998659

380487-05-8

Structural Information

Molecular Formula
C18H23NO4
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCC4=CC=CO4
InChI
InChI=1S/C18H23NO4/c20-16(19-10-15-2-1-3-22-15)11-23-17(21)18-7-12-4-13(8-18)6-14(5-12)9-18/h1-3,12-14H,4-11H2,(H,19,20)
InChIKey
MOSOSUPDUHNNDQ-UHFFFAOYSA-N
Compound name
[2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

317.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 168.3
[M+Na]+ 340.151938 168.2
[M-H]- 316.155444 166.5
[M+NH4]+ 335.196543 189.1
[M+K]+ 356.125878 166.6
[M+H-H2O]+ 300.159980 161.6
[M+HCOO]- 362.160921 175.0
[M+CH3COO]- 376.176571 175.6
[M+Na-2H]- 338.137386 176.0
[M]+ 317.16217142 170.9
[M]- 317.16326858 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.