CID 486993

3-amino-5-ethyl-6-methyl-4-(thiophene-2-carbonyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CS2)N)C
InChI
InChI=1S/C13H14N2O2S/c1-3-8-7(2)15-13(17)11(14)10(8)12(16)9-5-4-6-18-9/h4-6H,3,14H2,1-2H3,(H,15,17)
InChIKey
BZJUPOJYDRKYKP-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-(thiophene-2-carbonyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0776 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 158.1
[M+Na]+ 285.06682 167.9
[M-H]- 261.07032 163.1
[M+NH4]+ 280.11142 175.3
[M+K]+ 301.04076 162.4
[M+H-H2O]+ 245.07486 151.6
[M+HCOO]- 307.07580 175.8
[M+CH3COO]- 321.09145 195.1
[M+Na-2H]- 283.05227 156.4
[M]+ 262.07705 159.4
[M]- 262.07815 159.4
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.