CID 5270774

Chembl95555

Structural Information

Molecular Formula
C14H19N5O3
SMILES
C1CCC(CC1)OC(=O)C(CN2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C14H19N5O3/c15-12-11-13(17-7-16-12)19(8-18-11)6-10(20)14(21)22-9-4-2-1-3-5-9/h7-10,20H,1-6H2,(H2,15,16,17)
InChIKey
ZLYFUAKSNHFQNX-UHFFFAOYSA-N
Compound name
cyclohexyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1488 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15608 168.7
[M+Na]+ 328.13802 174.3
[M-H]- 304.14152 169.1
[M+NH4]+ 323.18262 179.1
[M+K]+ 344.11196 170.7
[M+H-H2O]+ 288.14606 158.6
[M+HCOO]- 350.14700 183.1
[M+CH3COO]- 364.16265 202.4
[M+Na-2H]- 326.12347 170.8
[M]+ 305.14825 166.1
[M]- 305.14935 166.1
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.