CID 728482

101428-42-6

Structural Information

Molecular Formula

C₁₆H₂₀N₄O₃S

SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)C)C

InChI

InChI=1S/C16H20N4O3S/c1-10(2)15(21)19-13-5-7-14(8-6-13)24(22,23)20-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,19,21)(H,17,18,20)

InChIKey

OZKMBUGAHKUFIX-UHFFFAOYSA-N

Compound name

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6
Patents: 348.1256 Da
Monoisotopic Mass: 1.2
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]+	349.132876	180.5
[M+Na]+	371.114818	187.5
[M-H]-	347.118324	185.0
[M+NH4]+	366.159423	190.8
[M+K]+	387.088758	183.0
[M+H-H2O]+	331.122860	171.6
[M+HCOO]-	393.123801	195.9
[M+CH3COO]-	407.139451	216.0
[M+Na-2H]-	369.100266	182.9
[M]+	348.12505142	183.4
[M]-	348.12614858	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe