CID 3045029

Brn 0585949

Structural Information

Molecular Formula
C14H18N6O4
SMILES
CC(=C)CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H18N6O4/c1-6(2)3-16-13(23)10-8(21)9(22)14(24-10)20-5-19-7-11(15)17-4-18-12(7)20/h4-5,8-10,14,21-22H,1,3H2,2H3,(H,16,23)(H2,15,17,18)/t8-,9+,10-,14+/m0/s1
InChIKey
UTUJWRRPZUGMNE-AEISUSGSSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(2-methylprop-2-enyl)oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13895 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14623 177.2
[M+Na]+ 357.12817 185.0
[M-H]- 333.13167 179.1
[M+NH4]+ 352.17277 186.8
[M+K]+ 373.10211 182.0
[M+H-H2O]+ 317.13621 168.9
[M+HCOO]- 379.13715 192.8
[M+CH3COO]- 393.15280 211.1
[M+Na-2H]- 355.11362 176.1
[M]+ 334.13840 177.1
[M]- 334.13950 177.1
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.