CID 135474223

2',3'-didehydro-2',3'-dideoxyguanosine

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H11N5O3/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6/h1-2,4-6,16H,3H2,(H3,11,13,14,17)/t5-,6+/m0/s1
InChIKey
FZYYPNOHKXTKLI-NTSWFWBYSA-N
Compound name
2-amino-9-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

89
References

489
Patents

249.08618 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 151.9
[M+Na]+ 272.07540 163.3
[M-H]- 248.07890 153.9
[M+NH4]+ 267.12000 165.5
[M+K]+ 288.04934 159.5
[M+H-H2O]+ 232.08344 143.9
[M+HCOO]- 294.08438 170.9
[M+CH3COO]- 308.10003 163.9
[M+Na-2H]- 270.06085 155.5
[M]+ 249.08563 152.7
[M]- 249.08673 152.7
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