CID 486952

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

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC3=C(C=C2)OCCO3)N(C)C)C
InChI
InChI=1S/C19H24N2O3/c1-5-14-12(2)20-19(22)18(21(3)4)15(14)10-13-6-7-16-17(11-13)24-9-8-23-16/h6-7,11H,5,8-10H2,1-4H3,(H,20,22)
InChIKey
NTERSGSDVLXBQD-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 182.0
[M+Na]+ 351.16790 189.6
[M-H]- 327.17140 189.6
[M+NH4]+ 346.21250 193.0
[M+K]+ 367.14184 187.7
[M+H-H2O]+ 311.17594 172.6
[M+HCOO]- 373.17688 198.9
[M+CH3COO]- 387.19253 215.8
[M+Na-2H]- 349.15335 185.2
[M]+ 328.17813 184.6
[M]- 328.17923 184.6
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.