CID 486909

Chembl442222

Structural Information

Molecular Formula
C15H22N4O
SMILES
CCC1=C(NC(=O)C(=C1CC2=NC=CN2C)N(C)C)C
InChI
InChI=1S/C15H22N4O/c1-6-11-10(2)17-15(20)14(18(3)4)12(11)9-13-16-7-8-19(13)5/h7-8H,6,9H2,1-5H3,(H,17,20)
InChIKey
NZPLRVLXKFSQDS-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(1-methylimidazol-2-yl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.17935 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18663 166.0
[M+Na]+ 297.16857 175.9
[M-H]- 273.17207 170.0
[M+NH4]+ 292.21317 180.7
[M+K]+ 313.14251 171.7
[M+H-H2O]+ 257.17661 157.1
[M+HCOO]- 319.17755 187.3
[M+CH3COO]- 333.19320 206.0
[M+Na-2H]- 295.15402 166.6
[M]+ 274.17880 169.2
[M]- 274.17990 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.