CID 65085

Isoguanosine hydrate

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
InChIKey
MIKUYHXYGGJMLM-UUOKFMHZSA-N
Compound name
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

47
References

3443
Patents

283.09167 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 161.6
[M+Na]+ 306.08089 170.8
[M+NH4]+ 301.12549 164.8
[M+K]+ 322.05483 173.8
[M-H]- 282.08439 160.8
[M+Na-2H]- 304.06634 161.6
[M]+ 283.09112 162.0
[M]- 283.09222 162.0
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