CID 5298608

192118-08-4

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CCOC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C11H16N2O4S/c1-2-17-11(14)13-8-7-9-3-5-10(6-4-9)18(12,15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKey
ZOZIYFMAJSPBLQ-UHFFFAOYSA-N
Compound name
ethyl N-[2-(4-sulfamoylphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.08307 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 159.3
[M+Na]+ 295.07229 165.4
[M-H]- 271.07579 162.3
[M+NH4]+ 290.11689 175.0
[M+K]+ 311.04623 162.5
[M+H-H2O]+ 255.08033 152.3
[M+HCOO]- 317.08127 177.9
[M+CH3COO]- 331.09692 197.3
[M+Na-2H]- 293.05774 162.3
[M]+ 272.08252 162.0
[M]- 272.08362 162.0
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