CID 472228

Chembl297727

Structural Information

Molecular Formula
C14H24N5O4P
SMILES
CC(C)OP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OC(C)C
InChI
InChI=1S/C14H24N5O4P/c1-10(2)22-24(20,23-11(3)4)9-21-6-5-19-8-18-12-13(15)16-7-17-14(12)19/h7-8,10-11H,5-6,9H2,1-4H3,(H2,15,16,17)
InChIKey
BZPXWTVPQJADMA-UHFFFAOYSA-N
Compound name
9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

357.1566 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16388 184.9
[M+Na]+ 380.14582 191.3
[M-H]- 356.14932 182.9
[M+NH4]+ 375.19042 194.9
[M+K]+ 396.11976 190.3
[M+H-H2O]+ 340.15386 173.2
[M+HCOO]- 402.15480 206.9
[M+CH3COO]- 416.17045 217.6
[M+Na-2H]- 378.13127 185.2
[M]+ 357.15605 192.2
[M]- 357.15715 192.2
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