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]+ 233.139696 154.1
[M+Na]+ 255.121638 163.8
[M-H]- 231.125144 154.9
[M+NH4]+ 250.166243 168.5
[M+K]+ 271.095578 157.7
[M+H-H2O]+ 215.129680 145.9
[M+HCOO]- 277.130621 173.7
[M+CH3COO]- 291.146271 189.5
[M+Na-2H]- 253.107086 156.1
[M]+ 232.13187142 151.7
[M]- 232.13296858 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.