CID 11615848

Benzyl n-(2-sulfamoylethyl)carbamate

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
C1=CC=C(C=C1)COC(=O)NCCS(=O)(=O)N
InChI
InChI=1S/C10H14N2O4S/c11-17(14,15)7-6-12-10(13)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H2,11,14,15)
InChIKey
FPMDBOVKAOIQAH-UHFFFAOYSA-N
Compound name
benzyl N-(2-sulfamoylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

258.0674 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.074676 155.0
[M+Na]+ 281.056618 160.8
[M-H]- 257.060124 157.8
[M+NH4]+ 276.101223 171.0
[M+K]+ 297.030558 158.0
[M+H-H2O]+ 241.064660 148.0
[M+HCOO]- 303.065601 174.0
[M+CH3COO]- 317.081251 193.0
[M+Na-2H]- 279.042066 159.2
[M]+ 258.06685142 157.0
[M]- 258.06794858 157.0
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

patents stripe