CID 53420996

2-amino-5-pyrimidinesulfonamide

Structural Information

Molecular Formula

C₄H₆N₄O₂S

SMILES

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

InChI

InChI=1S/C4H6N4O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H,(H2,5,7,8)(H2,6,9,10)

InChIKey

QDRARHQVEYBKSS-UHFFFAOYSA-N

Compound name

2-aminopyrimidine-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 174.02115 Da
Monoisotopic Mass: -1.6
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]+	175.028426	131.9
[M+Na]+	197.010368	141.7
[M-H]-	173.013874	132.8
[M+NH4]+	192.054973	149.0
[M+K]+	212.984308	138.5
[M+H-H2O]+	157.018410	125.2
[M+HCOO]-	219.019351	150.1
[M+CH3COO]-	233.035001	178.0
[M+Na-2H]-	194.995816	138.1
[M]+	174.02060142	130.8
[M]-	174.02169858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe