CID 15708417

41104-56-7

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: 33
Patents: 292.0518 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe