CID 135460966

2'-guanylic acid

Structural Information

Molecular Formula
C10H14N5O8P
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
WTIFIAZWCCBCGE-UUOKFMHZSA-N
Compound name
[(2R,3R,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

3948
Patents

363.058 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.06528 176.1
[M+Na]+ 386.04722 181.8
[M+NH4]+ 381.09182 176.1
[M+K]+ 402.02116 188.4
[M-H]- 362.05072 172.3
[M+Na-2H]- 384.03267 173.5
[M]+ 363.05745 174.8
[M]- 363.05855 174.8
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