CID 3067697

Brn 5084577

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)OC
InChI
InChI=1S/C11H16N2O4S/c1-8(2)13-18(15,16)10-6-4-9(5-7-10)12-11(14)17-3/h4-8,13H,1-3H3,(H,12,14)
InChIKey
UVBLWRAEGACOQO-UHFFFAOYSA-N
Compound name
methyl N-[4-(propan-2-ylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.08307 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 159.1
[M+Na]+ 295.07229 164.9
[M-H]- 271.07579 162.6
[M+NH4]+ 290.11689 175.0
[M+K]+ 311.04623 163.0
[M+H-H2O]+ 255.08033 152.2
[M+HCOO]- 317.08127 177.3
[M+CH3COO]- 331.09692 198.7
[M+Na-2H]- 293.05774 162.0
[M]+ 272.08252 162.2
[M]- 272.08362 162.2
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

No patent data available for this compound.