CID 10644837

9-[(3ar,8as)-6-oxo-6-phenoxy-2,3,3a,4,8,8a-hexahydrofuro[2,3-e][1,3,2]dioxaphosphepin-2-yl]purin-6-amine

Structural Information

Molecular Formula
C17H18N5O5P
SMILES
C1[C@@H]2COP(=O)(OC[C@H]2OC1N3C=NC4=C(N=CN=C43)N)OC5=CC=CC=C5
InChI
InChI=1S/C17H18N5O5P/c18-16-15-17(20-9-19-16)22(10-21-15)14-6-11-7-24-28(23,25-8-13(11)26-14)27-12-4-2-1-3-5-12/h1-5,9-11,13-14H,6-8H2,(H2,18,19,20)/t11-,13-,14?,28?/m1/s1
InChIKey
ZEHNHEWVHDHXAH-DUSDZESZSA-N
Compound name
9-[(3aR,8aS)-6-oxo-6-phenoxy-2,3,3a,4,8,8a-hexahydrofuro[2,3-e][1,3,2]dioxaphosphepin-2-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.10455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11183 189.7
[M+Na]+ 426.09377 197.2
[M-H]- 402.09727 198.2
[M+NH4]+ 421.13837 197.1
[M+K]+ 442.06771 199.5
[M+H-H2O]+ 386.10181 176.0
[M+HCOO]- 448.10275 208.0
[M+CH3COO]- 462.11840 198.5
[M+Na-2H]- 424.07922 188.6
[M]+ 403.10400 189.0
[M]- 403.10510 189.0
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.