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

literature stripe

Patent stripe

patents stripe