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

108
Patents

159.01025 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe