CID 118753540

Chembl3544549

Structural Information

Molecular Formula
C12H13N3O5S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)O
InChI
InChI=1S/C12H13N3O5S/c1-7-8(2)14-20-11(7)15-21(18,19)10-5-3-9(4-6-10)13-12(16)17/h3-6,13,15H,1-2H3,(H,16,17)
InChIKey
LPIKQBOLCCVSJQ-UHFFFAOYSA-N
Compound name
[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0576 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06488 168.7
[M+Na]+ 334.04682 177.4
[M+NH4]+ 329.09142 173.1
[M+K]+ 350.02076 175.2
[M-H]- 310.05032 170.5
[M+Na-2H]- 332.03227 172.4
[M]+ 311.05705 170.5
[M]- 311.05815 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.