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 167.7
[M+Na]+ 334.04682 175.9
[M-H]- 310.05032 173.7
[M+NH4]+ 329.09142 180.7
[M+K]+ 350.02076 173.6
[M+H-H2O]+ 294.05486 160.7
[M+HCOO]- 356.05580 185.7
[M+CH3COO]- 370.07145 202.7
[M+Na-2H]- 332.03227 171.1
[M]+ 311.05705 171.7
[M]- 311.05815 171.7
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.