CID 1714975

Brn 5093707

Structural Information

Molecular Formula
C10H14N2O5S
SMILES
COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCO
InChI
InChI=1S/C10H14N2O5S/c1-17-10(14)12-8-2-4-9(5-3-8)18(15,16)11-6-7-13/h2-5,11,13H,6-7H2,1H3,(H,12,14)
InChIKey
IDPLNMFBNBUWMT-UHFFFAOYSA-N
Compound name
methyl N-[4-(2-hydroxyethylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

274.06235 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06963 157.3
[M+Na]+ 297.05157 163.1
[M-H]- 273.05507 159.4
[M+NH4]+ 292.09617 172.2
[M+K]+ 313.02551 160.5
[M+H-H2O]+ 257.05961 150.4
[M+HCOO]- 319.06055 175.5
[M+CH3COO]- 333.07620 194.7
[M+Na-2H]- 295.03702 161.6
[M]+ 274.06180 160.1
[M]- 274.06290 160.1
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.