CID 160773

5018-54-2

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₅S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OC)OC

InChI

InChI=1S/C14H16N4O5S/c1-9(19)17-10-4-6-11(7-5-10)24(20,21)18-13-12(22-2)14(23-3)16-8-15-13/h4-8H,1-3H3,(H,17,19)(H,15,16,18)

InChIKey

PBSUUNCQTRDFCM-UHFFFAOYSA-N

Compound name

N-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 6
Patents: 352.08414 Da
Monoisotopic Mass: 0.5
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]+	353.091416	177.8
[M+Na]+	375.073358	185.3
[M-H]-	351.076864	182.5
[M+NH4]+	370.117963	187.7
[M+K]+	391.047298	182.0
[M+H-H2O]+	335.081400	168.5
[M+HCOO]-	397.082341	195.2
[M+CH3COO]-	411.097991	213.7
[M+Na-2H]-	373.058806	182.6
[M]+	352.08359142	183.2
[M]-	352.08468858	183.2

Literature stripe

literature stripe

Patent stripe

patents stripe