CID 135702848

149717-54-4

Structural Information

Molecular Formula
C10H14N2O6S
SMILES
CCN1C(=C(C(=C(C1=O)CS(=O)(=O)O)C)C(=O)N)O
InChI
InChI=1S/C10H14N2O6S/c1-3-12-9(14)6(4-19(16,17)18)5(2)7(8(11)13)10(12)15/h15H,3-4H2,1-2H3,(H2,11,13)(H,16,17,18)
InChIKey
ANYPQKPSMPQPGZ-UHFFFAOYSA-N
Compound name
(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxopyridin-3-yl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

290.05725 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06453 159.1
[M+Na]+ 313.04647 168.5
[M-H]- 289.04997 159.3
[M+NH4]+ 308.09107 172.3
[M+K]+ 329.02041 164.9
[M+H-H2O]+ 273.05451 153.1
[M+HCOO]- 335.05545 173.1
[M+CH3COO]- 349.07110 197.7
[M+Na-2H]- 311.03192 159.1
[M]+ 290.05670 162.9
[M]- 290.05780 162.9
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

patents stripe