CID 19091293

Pyrimidine-5-sulfonamide

Structural Information

Molecular Formula

C₄H₅N₃O₂S

SMILES

C1=C(C=NC=N1)S(=O)(=O)N

InChI

InChI=1S/C4H5N3O2S/c5-10(8,9)4-1-6-3-7-2-4/h1-3H,(H2,5,8,9)

InChIKey

NIRIGNIPEFMZHT-UHFFFAOYSA-N

Compound name

pyrimidine-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 159.01025 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]+	160.01753	128.7
[M+Na]+	181.99947	139.8
[M+NH4]+	177.04407	135.7
[M+K]+	197.97341	134.0
[M-H]-	158.00297	128.7
[M+Na-2H]-	179.98492	134.7
[M]+	159.00970	130.5
[M]-	159.01080	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe