CID 486967

4-(1,3-benzodioxole-5-carbonyl)-3-(dimethylamino)-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC3=C(C=C2)OCO3)N(C)C)C
InChI
InChI=1S/C18H20N2O4/c1-5-12-10(2)19-18(22)16(20(3)4)15(12)17(21)11-6-7-13-14(8-11)24-9-23-13/h6-8H,5,9H2,1-4H3,(H,19,22)
InChIKey
MTVQYXIPUHMMFZ-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxole-5-carbonyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 178.3
[M+Na]+ 351.13152 186.9
[M-H]- 327.13502 186.7
[M+NH4]+ 346.17612 191.1
[M+K]+ 367.10546 185.7
[M+H-H2O]+ 311.13956 170.6
[M+HCOO]- 373.14050 197.2
[M+CH3COO]- 387.15615 214.7
[M+Na-2H]- 349.11697 179.5
[M]+ 328.14175 183.0
[M]- 328.14285 183.0
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.