CID 486905

3-amino-5-ethyl-4-(1h-imidazol-2-ylmethyl)-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C12H16N4O
SMILES
CCC1=C(NC(=O)C(=C1CC2=NC=CN2)N)C
InChI
InChI=1S/C12H16N4O/c1-3-8-7(2)16-12(17)11(13)9(8)6-10-14-4-5-15-10/h4-5H,3,6,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKey
DOTXLKKHIMIAHX-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-4-(1H-imidazol-2-ylmethyl)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 154.1
[M+Na]+ 255.12164 163.8
[M-H]- 231.12514 154.9
[M+NH4]+ 250.16624 168.5
[M+K]+ 271.09558 157.7
[M+H-H2O]+ 215.12968 145.9
[M+HCOO]- 277.13062 173.7
[M+CH3COO]- 291.14627 189.5
[M+Na-2H]- 253.10709 156.1
[M]+ 232.13187 151.7
[M]- 232.13297 151.7
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.