CID 165452842

9-(3-hydroxypropyl)-9h-purine-6-sulfonyl fluoride

Structural Information

Molecular Formula
C8H9FN4O3S
SMILES
C1=NC2=C(C(=N1)S(=O)(=O)F)N=CN2CCCO
InChI
InChI=1S/C8H9FN4O3S/c9-17(15,16)8-6-7(10-4-11-8)13(5-12-6)2-1-3-14/h4-5,14H,1-3H2
InChIKey
FLQWNPPALHLBRZ-UHFFFAOYSA-N
Compound name
9-(3-hydroxypropyl)purine-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03793 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04521 153.0
[M+Na]+ 283.02715 165.7
[M-H]- 259.03065 151.1
[M+NH4]+ 278.07175 167.6
[M+K]+ 299.00109 161.3
[M+H-H2O]+ 243.03519 145.4
[M+HCOO]- 305.03613 166.6
[M+CH3COO]- 319.05178 187.9
[M+Na-2H]- 281.01260 158.2
[M]+ 260.03738 158.0
[M]- 260.03848 158.0
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.