CID 116936

70911-42-1

Structural Information

Molecular Formula
C15H16N2O6S
SMILES
CC1=CC(=O)N(C(=C1C(=O)N)O)CCC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C15H16N2O6S/c1-9-8-12(18)17(15(20)13(9)14(16)19)7-6-10-2-4-11(5-3-10)24(21,22)23/h2-5,8,20H,6-7H2,1H3,(H2,16,19)(H,21,22,23)
InChIKey
JUPVFOVWMCZQAQ-UHFFFAOYSA-N
Compound name
4-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxopyridin-1-yl)ethyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.0729 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08018 178.6
[M+Na]+ 375.06212 188.9
[M+NH4]+ 370.10672 182.0
[M+K]+ 391.03606 184.4
[M-H]- 351.06562 178.3
[M+Na-2H]- 373.04757 182.2
[M]+ 352.07235 180.0
[M]- 352.07345 180.0
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

patents stripe