CID 14371344

Dtxsid50888855

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₅S

SMILES

CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C15H15N3O5S/c1-18(2)14(19)12-9-6-10-16-13(12)24(21,22)17-15(20)23-11-7-4-3-5-8-11/h3-10H,1-2H3,(H,17,20)

InChIKey

NHNQLTZFUJPTCB-UHFFFAOYSA-N

Compound name

phenyl N-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonyl]carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 349.07324 Da
Monoisotopic Mass: 1.4
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]+	350.080516	177.1
[M+Na]+	372.062458	182.8
[M-H]-	348.065964	183.9
[M+NH4]+	367.107063	188.5
[M+K]+	388.036398	180.9
[M+H-H2O]+	332.070500	168.1
[M+HCOO]-	394.071441	195.3
[M+CH3COO]-	408.087091	213.3
[M+Na-2H]-	370.047906	181.0
[M]+	349.07269142	181.5
[M]-	349.07378858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe