CID 101134254

Ulfosulfuron tp4

Structural Information

Molecular Formula

C₁₁H₁₄N₆O₅S₂

SMILES

CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)N=C(N)N

InChI

InChI=1S/C11H14N6O5S2/c1-2-23(19,20)8-9(17-6-4-3-5-7(17)14-8)24(21,22)16-11(18)15-10(12)13/h3-6H,2H2,1H3,(H5,12,13,15,16,18)

InChIKey

QVPXXOJRJDDMIV-UHFFFAOYSA-N

Compound name

1-(diaminomethylidene)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 374.04672 Da
Monoisotopic Mass: 0.2
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]+	375.053996	181.0
[M+Na]+	397.035938	188.5
[M-H]-	373.039444	183.4
[M+NH4]+	392.080543	192.3
[M+K]+	413.009878	184.3
[M+H-H2O]+	357.043980	174.0
[M+HCOO]-	419.044921	194.1
[M+CH3COO]-	433.060571	218.7
[M+Na-2H]-	395.021386	187.0
[M]+	374.04617142	184.2
[M]-	374.04726858	184.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.