CID 486974

Chembl181683

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=C(O2)C)N(C)C)C
InChI
InChI=1S/C16H20N2O3/c1-6-11-10(3)17-16(20)14(18(4)5)13(11)15(19)12-8-7-9(2)21-12/h7-8H,6H2,1-5H3,(H,17,20)
InChIKey
UFRFBMPPBSGVSL-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(5-methylfuran-2-carbonyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 167.0
[M+Na]+ 311.13662 176.3
[M-H]- 287.14012 174.4
[M+NH4]+ 306.18122 182.3
[M+K]+ 327.11056 174.4
[M+H-H2O]+ 271.14466 159.8
[M+HCOO]- 333.14560 189.3
[M+CH3COO]- 347.16125 208.0
[M+Na-2H]- 309.12207 166.9
[M]+ 288.14685 171.7
[M]- 288.14795 171.7
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.