CID 372211

Nsc647245

Structural Information

Molecular Formula
C16H22N2O2
SMILES
C1C2CC3CC1CC(C2)(C3)NCC4=C(C(=O)NC=C4)O
InChI
InChI=1S/C16H22N2O2/c19-14-13(1-2-17-15(14)20)9-18-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,18-19H,3-9H2,(H,17,20)
InChIKey
YHOCYABAYHCXQW-UHFFFAOYSA-N
Compound name
4-[(1-adamantylamino)methyl]-3-hydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 160.1
[M+Na]+ 297.15734 162.5
[M-H]- 273.16084 154.8
[M+NH4]+ 292.20194 180.3
[M+K]+ 313.13128 157.4
[M+H-H2O]+ 257.16538 152.2
[M+HCOO]- 319.16632 165.0
[M+CH3COO]- 333.18197 167.0
[M+Na-2H]- 295.14279 170.9
[M]+ 274.16757 158.1
[M]- 274.16867 158.1
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.