CID 135454023

3868-32-4

Structural Information

Molecular Formula
C10H14N6O5
SMILES
C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=C2N)O)O)O
InChI
InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)
InChIKey
FNXPTCITVCRFRK-UHFFFAOYSA-N
Compound name
2,8-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

48
References

333
Patents

298.10257 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10985 165.3
[M+Na]+ 321.09179 173.3
[M+NH4]+ 316.13639 167.8
[M+K]+ 337.06573 177.2
[M-H]- 297.09529 164.7
[M+Na-2H]- 319.07724 164.4
[M]+ 298.10202 165.4
[M]- 298.10312 165.4
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