CID 486932

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

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC3=C(C=C2)OCCO3)N(C)C)C
InChI
InChI=1S/C19H22N2O4/c1-5-13-11(2)20-19(23)17(21(3)4)16(13)18(22)12-6-7-14-15(10-12)25-9-8-24-14/h6-7,10H,5,8-9H2,1-4H3,(H,20,23)
InChIKey
ZEYVEZINOJVGBG-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxine-6-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

342.15796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 183.3
[M+Na]+ 365.14718 190.7
[M-H]- 341.15068 191.1
[M+NH4]+ 360.19178 193.5
[M+K]+ 381.12112 189.5
[M+H-H2O]+ 325.15522 174.0
[M+HCOO]- 387.15616 199.6
[M+CH3COO]- 401.17181 218.4
[M+Na-2H]- 363.13263 185.6
[M]+ 342.15741 186.1
[M]- 342.15851 186.1
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.