CID 114854

20125-40-0

Structural Information

Molecular Formula
C19H23N5O4
SMILES
CC(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11?,13-,15-,16-,19-/m1/s1
InChIKey
RIRGCFBBHQEQQH-UVCRECLJSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1051
References

458
Patents

385.17502 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18230 191.1
[M+Na]+ 408.16424 202.0
[M+NH4]+ 403.20884 195.2
[M+K]+ 424.13818 202.1
[M-H]- 384.16774 194.1
[M+Na-2H]- 406.14969 194.6
[M]+ 385.17447 193.1
[M]- 385.17557 193.1
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