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]+ 275.175396 160.1
[M+Na]+ 297.157338 162.5
[M-H]- 273.160844 154.8
[M+NH4]+ 292.201943 180.3
[M+K]+ 313.131278 157.4
[M+H-H2O]+ 257.165380 152.2
[M+HCOO]- 319.166321 165.0
[M+CH3COO]- 333.181971 167.0
[M+Na-2H]- 295.142786 170.9
[M]+ 274.16757142 158.1
[M]- 274.16866858 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.