CID 5054603

39148-61-3

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CCOC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H14N2O4S/c1-2-16-10(13)12-7-8-3-5-9(6-4-8)17(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15)
InChIKey
PWRGLCWLRAPYLW-UHFFFAOYSA-N
Compound name
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.074676 154.9
[M+Na]+ 281.056618 161.5
[M-H]- 257.060124 158.1
[M+NH4]+ 276.101223 171.2
[M+K]+ 297.030558 158.8
[M+H-H2O]+ 241.064660 148.1
[M+HCOO]- 303.065601 173.9
[M+CH3COO]- 317.081251 194.3
[M+Na-2H]- 279.042066 158.4
[M]+ 258.06685142 157.3
[M]- 258.06794858 157.3
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.