CID 515113

97845-65-3

Structural Information

Molecular Formula
C11H17N5O3
SMILES
COC1=NC(=NC2=C1N=CN2CCC(CO)CO)N
InChI
InChI=1S/C11H17N5O3/c1-19-10-8-9(14-11(12)15-10)16(6-13-8)3-2-7(4-17)5-18/h6-7,17-18H,2-5H2,1H3,(H2,12,14,15)
InChIKey
JSFLQOQEWLPOPH-UHFFFAOYSA-N
Compound name
2-[2-(2-amino-6-methoxypurin-9-yl)ethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

267.13315 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 160.1
[M+Na]+ 290.12237 169.4
[M-H]- 266.12587 157.3
[M+NH4]+ 285.16697 172.6
[M+K]+ 306.09631 165.7
[M+H-H2O]+ 250.13041 151.6
[M+HCOO]- 312.13135 177.8
[M+CH3COO]- 326.14700 195.8
[M+Na-2H]- 288.10782 164.1
[M]+ 267.13260 163.2
[M]- 267.13370 163.2
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.