CID 134692036

3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₁₆H₂₀N₆O₆S

SMILES

CN(C)C(=O)C1=CC(=CC=C1)NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-6-5-7-11(8-10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)

InChIKey

ZYTDPWFEPDOYMB-UHFFFAOYSA-N

Compound name

3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 424.11652 Da
Monoisotopic Mass: 1.6
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]+	425.123796	193.7
[M+Na]+	447.105738	198.1
[M-H]-	423.109244	199.4
[M+NH4]+	442.150343	200.2
[M+K]+	463.079678	196.9
[M+H-H2O]+	407.113780	183.3
[M+HCOO]-	469.114721	212.2
[M+CH3COO]-	483.130371	234.8
[M+Na-2H]-	445.091186	198.3
[M]+	424.11597142	199.4
[M]-	424.11706858	199.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.