CID 3011682

Chembl221941

Structural Information

Molecular Formula
C10H11FN4O3S
SMILES
CC(=O)OCCOCN1C=NC2=C1NC(=NC2=S)F
InChI
InChI=1S/C10H11FN4O3S/c1-6(16)18-3-2-17-5-15-4-12-7-8(15)13-10(11)14-9(7)19/h4H,2-3,5H2,1H3,(H,13,14,19)
InChIKey
UJCUMGXTTXPOFC-UHFFFAOYSA-N
Compound name
2-[(2-fluoro-6-sulfanylidene-3H-purin-9-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.0536 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06088 158.7
[M+Na]+ 309.04282 170.9
[M-H]- 285.04632 156.7
[M+NH4]+ 304.08742 172.5
[M+K]+ 325.01676 166.0
[M+H-H2O]+ 269.05086 150.5
[M+HCOO]- 331.05180 172.2
[M+CH3COO]- 345.06745 194.7
[M+Na-2H]- 307.02827 160.5
[M]+ 286.05305 164.8
[M]- 286.05415 164.8
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.