CID 3045031

Brn 0583762

Structural Information

Molecular Formula
C14H18N6O4
SMILES
C1CC1CNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C14H18N6O4/c15-11-7-12(18-4-17-11)20(5-19-7)14-9(22)8(21)10(24-14)13(23)16-3-6-1-2-6/h4-6,8-10,14,21-22H,1-3H2,(H,16,23)(H2,15,17,18)/t8-,9+,10-,14+/m0/s1
InChIKey
FXAVDLKKSLMZLT-AEISUSGSSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(cyclopropylmethyl)-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.13895 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14623 176.9
[M+Na]+ 357.12817 187.4
[M+NH4]+ 352.17277 181.7
[M+K]+ 373.10211 189.9
[M-H]- 333.13167 186.2
[M+Na-2H]- 355.11362 181.5
[M]+ 334.13840 181.6
[M]- 334.13950 181.6
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

patents stripe