CID 468295

Schembl23391245

Structural Information

Molecular Formula
C14H19N5O3
SMILES
COCCOC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N
InChI
InChI=1S/C14H19N5O3/c1-21-4-5-22-13-11-12(17-14(15)18-13)19(8-16-11)10-3-2-9(6-10)7-20/h2-3,8-10,20H,4-7H2,1H3,(H2,15,17,18)/t9-,10+/m1/s1
InChIKey
FBDBWXQXSNFYOP-ZJUUUORDSA-N
Compound name
[(1S,4R)-4-[2-amino-6-(2-methoxyethoxy)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

305.1488 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15608 168.0
[M+Na]+ 328.13802 177.4
[M-H]- 304.14152 170.1
[M+NH4]+ 323.18262 181.3
[M+K]+ 344.11196 173.5
[M+H-H2O]+ 288.14606 158.7
[M+HCOO]- 350.14700 187.9
[M+CH3COO]- 364.16265 203.7
[M+Na-2H]- 326.12347 169.9
[M]+ 305.14825 171.9
[M]- 305.14935 171.9
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.