CID 15957691

Chembl3250898

Structural Information

Molecular Formula
C18H27N5O4
SMILES
CC(C)(C)C(=O)OCC(CN1C=NC2=C(N=CN=C21)N)OC(=O)C(C)(C)C
InChI
InChI=1S/C18H27N5O4/c1-17(2,3)15(24)26-8-11(27-16(25)18(4,5)6)7-23-10-22-12-13(19)20-9-21-14(12)23/h9-11H,7-8H2,1-6H3,(H2,19,20,21)
InChIKey
OLFHXRPLBVDGBJ-UHFFFAOYSA-N
Compound name
[3-(6-aminopurin-9-yl)-2-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.2063 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21358 193.5
[M+Na]+ 400.19552 200.3
[M-H]- 376.19902 193.2
[M+NH4]+ 395.24012 202.8
[M+K]+ 416.16946 198.6
[M+H-H2O]+ 360.20356 185.3
[M+HCOO]- 422.20450 207.2
[M+CH3COO]- 436.22015 220.3
[M+Na-2H]- 398.18097 196.0
[M]+ 377.20575 199.7
[M]- 377.20685 199.7
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

No patent data available for this compound.