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]+ 263.084876 158.1
[M+Na]+ 285.066818 167.9
[M-H]- 261.070324 163.1
[M+NH4]+ 280.111423 175.3
[M+K]+ 301.040758 162.4
[M+H-H2O]+ 245.074860 151.6
[M+HCOO]- 307.075801 175.8
[M+CH3COO]- 321.091451 195.1
[M+Na-2H]- 283.052266 156.4
[M]+ 262.07705142 159.4
[M]- 262.07814858 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.