CID 15679

Carbasulam

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₆S

SMILES

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC

InChI

InChI=1S/C10H12N2O6S/c1-17-9(13)11-7-3-5-8(6-4-7)19(15,16)12-10(14)18-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey

ZTFLDKYLDUZSMN-UHFFFAOYSA-N

Compound name

methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 4779
Patents: 288.0416 Da
Monoisotopic Mass: 0.0
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]+	289.04888	159.5
[M+Na]+	311.03082	165.7
[M-H]-	287.03432	163.2
[M+NH4]+	306.07542	174.5
[M+K]+	327.00476	164.6
[M+H-H2O]+	271.03886	152.5
[M+HCOO]-	333.03980	178.7
[M+CH3COO]-	347.05545	198.1
[M+Na-2H]-	309.01627	163.5
[M]+	288.04105	164.2
[M]-	288.04215	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe