CID 50955298

N-(2-methoxyethyl)-6-methyl-n-[(3-methyl-2-thienyl)methyl]-2-oxo-1,2-dihydropyridine-4-carboxamide

Structural Information

Molecular Formula
C16H20N2O3S
SMILES
CC1=C(SC=C1)CN(CCOC)C(=O)C2=CC(=O)NC(=C2)C
InChI
InChI=1S/C16H20N2O3S/c1-11-4-7-22-14(11)10-18(5-6-21-3)16(20)13-8-12(2)17-15(19)9-13/h4,7-9H,5-6,10H2,1-3H3,(H,17,19)
InChIKey
BBEZNLRXWCUHAJ-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

320.11948 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12676 174.7
[M+Na]+ 343.10870 182.1
[M-H]- 319.11220 180.7
[M+NH4]+ 338.15330 190.0
[M+K]+ 359.08264 178.4
[M+H-H2O]+ 303.11674 167.0
[M+HCOO]- 365.11768 192.7
[M+CH3COO]- 379.13333 208.2
[M+Na-2H]- 341.09415 172.7
[M]+ 320.11893 180.2
[M]- 320.12003 180.2
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.