CID 472229

Chembl303767

Structural Information

Molecular Formula
C14H25N6O4P
SMILES
CC(C)OP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)N)OC(C)C
InChI
InChI=1S/C14H25N6O4P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H4,15,16,18,19)
InChIKey
DVLIDGCMMWRQRA-UHFFFAOYSA-N
Compound name
9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.16748 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17476 188.1
[M+Na]+ 395.15670 194.4
[M-H]- 371.16020 186.2
[M+NH4]+ 390.20130 197.2
[M+K]+ 411.13064 193.3
[M+H-H2O]+ 355.16474 176.5
[M+HCOO]- 417.16568 210.5
[M+CH3COO]- 431.18133 223.6
[M+Na-2H]- 393.14215 187.6
[M]+ 372.16693 194.0
[M]- 372.16803 194.0
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.