CID 15708417

Phenyl 4-(aminosulfonyl)phenylcarbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

292.0518 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05908 162.7
[M+Na]+ 315.04102 169.5
[M-H]- 291.04452 169.1
[M+NH4]+ 310.08562 177.2
[M+K]+ 331.01496 165.7
[M+H-H2O]+ 275.04906 155.0
[M+HCOO]- 337.05000 182.4
[M+CH3COO]- 351.06565 199.3
[M+Na-2H]- 313.02647 167.7
[M]+ 292.05125 163.8
[M]- 292.05235 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