CID 135524643

2-amino-9-(2-fluoro-2-hydroxymethyl-cyclopropylidenemethyl)-1,9-dihydro-purin-6-one

Structural Information

Molecular Formula
C10H10FN5O2
SMILES
C1C(=CN2C=NC3=C2N=C(NC3=O)N)C1(CO)F
InChI
InChI=1S/C10H10FN5O2/c11-10(3-17)1-5(10)2-16-4-13-6-7(16)14-9(12)15-8(6)18/h2,4,17H,1,3H2,(H3,12,14,15,18)
InChIKey
ILGQQKONHVZYNI-UHFFFAOYSA-N
Compound name
2-amino-9-[[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

251.08185 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08913 161.2
[M+Na]+ 274.07107 175.6
[M-H]- 250.07457 161.6
[M+NH4]+ 269.11567 171.8
[M+K]+ 290.04501 167.2
[M+H-H2O]+ 234.07911 153.3
[M+HCOO]- 296.08005 179.3
[M+CH3COO]- 310.09570 172.0
[M+Na-2H]- 272.05652 165.8
[M]+ 251.08130 162.5
[M]- 251.08240 162.6
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

No patent data available for this compound.