CID 24405

7724-76-7

Structural Information

Molecular Formula
C15H21N5O4
SMILES
CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C
InChI
InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
InChIKey
USVMJSALORZVDV-SDBHATRESA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

329
References

19366
Patents

335.15936 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 178.9
[M+Na]+ 358.14858 187.8
[M+NH4]+ 353.19318 182.2
[M+K]+ 374.12252 189.1
[M-H]- 334.15208 178.8
[M+Na-2H]- 356.13403 179.2
[M]+ 335.15881 179.5
[M]- 335.15991 179.5
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