CID 464599

172469-69-1

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CCOC(=O)NC1=C(C(=CNC1=O)C)SC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C17H20N2O3S/c1-5-22-17(21)19-14-15(12(4)9-18-16(14)20)23-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKey
WRDWJAVDHNBIFJ-UHFFFAOYSA-N
Compound name
ethyl N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.11948 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12676 176.7
[M+Na]+ 355.10870 185.3
[M-H]- 331.11220 181.5
[M+NH4]+ 350.15330 189.5
[M+K]+ 371.08264 179.6
[M+H-H2O]+ 315.11674 168.6
[M+HCOO]- 377.11768 192.9
[M+CH3COO]- 391.13333 210.0
[M+Na-2H]- 353.09415 176.0
[M]+ 332.11893 181.0
[M]- 332.12003 181.0
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.