CID 64611

Brn 4299455

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCOC(=O)C1=CC(=CN=C1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H24N2O3/c1-2-24-17(22)15-6-16(11-20-10-15)21-18(23)19-7-12-3-13(8-19)5-14(4-12)9-19/h6,10-14H,2-5,7-9H2,1H3,(H,21,23)
InChIKey
XAPROWNTGUUMIR-UHFFFAOYSA-N
Compound name
ethyl 5-(adamantane-1-carbonylamino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 174.7
[M+Na]+ 351.167898 174.7
[M-H]- 327.171404 170.8
[M+NH4]+ 346.212503 193.2
[M+K]+ 367.141838 171.7
[M+H-H2O]+ 311.175940 165.6
[M+HCOO]- 373.176881 179.5
[M+CH3COO]- 387.192531 180.7
[M+Na-2H]- 349.153346 183.2
[M]+ 328.17813142 175.5
[M]- 328.17922858 175.5
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.