CID 374905

Nsc653480

Structural Information

Molecular Formula
C13H17N5O3
SMILES
C=CCOC1CC(OC1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H17N5O3/c1-2-3-20-8-4-10(21-9(8)5-19)18-7-17-11-12(14)15-6-16-13(11)18/h2,6-10,19H,1,3-5H2,(H2,14,15,16)
InChIKey
HKIFUCPMCJEOTG-UHFFFAOYSA-N
Compound name
[5-(6-aminopurin-9-yl)-3-prop-2-enoxyoxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.13315 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14043 165.6
[M+Na]+ 314.12237 175.1
[M-H]- 290.12587 168.0
[M+NH4]+ 309.16697 178.1
[M+K]+ 330.09631 171.6
[M+H-H2O]+ 274.13041 156.8
[M+HCOO]- 336.13135 183.7
[M+CH3COO]- 350.14700 176.4
[M+Na-2H]- 312.10782 167.2
[M]+ 291.13260 167.7
[M]- 291.13370 167.7
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.