CID 5270777

Chembl553798

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(C(=O)OCCO)O)N
InChI
InChI=1S/C10H13N5O4/c11-8-7-9(13-4-12-8)15(5-14-7)3-6(17)10(18)19-2-1-16/h4-6,16-17H,1-3H2,(H2,11,12,13)
InChIKey
YKBRZHFOHXGQEM-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09674 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 156.7
[M+Na]+ 290.08596 165.3
[M-H]- 266.08946 153.9
[M+NH4]+ 285.13056 168.7
[M+K]+ 306.05990 162.5
[M+H-H2O]+ 250.09400 148.2
[M+HCOO]- 312.09494 174.1
[M+CH3COO]- 326.11059 193.3
[M+Na-2H]- 288.07141 161.0
[M]+ 267.09619 159.0
[M]- 267.09729 159.0
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.