CID 18547005

Pyrimidine-2-sulfonamide

Structural Information

Molecular Formula

C₄H₅N₃O₂S

SMILES

C1=CN=C(N=C1)S(=O)(=O)N

InChI

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

InChIKey

WJJBIYLGJUVNJX-UHFFFAOYSA-N

Compound name

pyrimidine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1055
Patents: 159.01025 Da
Monoisotopic Mass: -0.9
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	128.1
[M+Na]+	181.99947	137.9
[M-H]-	158.00297	129.3
[M+NH4]+	177.04407	146.2
[M+K]+	197.97341	135.3
[M+H-H2O]+	142.00751	121.6
[M+HCOO]-	204.00845	146.1
[M+CH3COO]-	218.02410	172.3
[M+Na-2H]-	179.98492	135.4
[M]+	159.00970	128.4
[M]-	159.01080	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe