CID 1241577

27161-13-3

Structural Information

Molecular Formula

C₁₇H₁₆N₄O₆S

SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C17H16N4O6S/c1-25-15-10-14(19-17(20-15)26-2)21-28(23,24)12-7-5-11(6-8-12)18-16(22)13-4-3-9-27-13/h3-10H,1-2H3,(H,18,22)(H,19,20,21)

InChIKey

DQOZFKWKEFZPOO-UHFFFAOYSA-N

Compound name

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 11
Patents: 404.07904 Da
Monoisotopic Mass: 2.5
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]+	405.086316	190.2
[M+Na]+	427.068258	197.6
[M-H]-	403.071764	199.2
[M+NH4]+	422.112863	198.1
[M+K]+	443.042198	195.4
[M+H-H2O]+	387.076300	180.8
[M+HCOO]-	449.077241	208.4
[M+CH3COO]-	463.092891	221.0
[M+Na-2H]-	425.053706	194.5
[M]+	404.07849142	197.0
[M]-	404.07958858	197.0

Literature stripe

literature stripe

Patent stripe

patents stripe