CID 125455482

5-chloropyrazolo[1,5-a]pyrimidine-3-sulfonamide

Structural Information

Molecular Formula
C6H5ClN4O2S
SMILES
C1=CN2C(=C(C=N2)S(=O)(=O)N)N=C1Cl
InChI
InChI=1S/C6H5ClN4O2S/c7-5-1-2-11-6(10-5)4(3-9-11)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKey
CKAAMVXVCWYVMN-UHFFFAOYSA-N
Compound name
5-chloropyrazolo[1,5-a]pyrimidine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98218 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.98946 144.3
[M+Na]+ 254.97140 158.1
[M-H]- 230.97490 146.2
[M+NH4]+ 250.01600 162.5
[M+K]+ 270.94534 153.2
[M+H-H2O]+ 214.97944 138.6
[M+HCOO]- 276.98038 157.8
[M+CH3COO]- 290.99603 184.7
[M+Na-2H]- 252.95685 150.6
[M]+ 231.98163 149.7
[M]- 231.98273 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.