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]+ 329.18596 174.7
[M+Na]+ 351.16790 174.7
[M-H]- 327.17140 170.8
[M+NH4]+ 346.21250 193.2
[M+K]+ 367.14184 171.7
[M+H-H2O]+ 311.17594 165.6
[M+HCOO]- 373.17688 179.5
[M+CH3COO]- 387.19253 180.7
[M+Na-2H]- 349.15335 183.2
[M]+ 328.17813 175.5
[M]- 328.17923 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.