CID 39870106

Phenyl n-(3-sulfamoylphenyl)carbamate

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)S(=O)(=O)N
InChI
InChI=1S/C13H12N2O4S/c14-20(17,18)12-8-4-5-10(9-12)15-13(16)19-11-6-2-1-3-7-11/h1-9H,(H,15,16)(H2,14,17,18)
InChIKey
BPTSGABACXLUHY-UHFFFAOYSA-N
Compound name
phenyl N-(3-sulfamoylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

292.0518 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.059076 162.7
[M+Na]+ 315.041018 169.5
[M-H]- 291.044524 169.1
[M+NH4]+ 310.085623 177.2
[M+K]+ 331.014958 165.7
[M+H-H2O]+ 275.049060 155.0
[M+HCOO]- 337.050001 182.4
[M+CH3COO]- 351.065651 199.3
[M+Na-2H]- 313.026466 167.7
[M]+ 292.05125142 163.8
[M]- 292.05234858 163.8
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