CID 135538697

4'-thio-2',3'-dideoxyguanosine

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
C1C[C@@H](S[C@@H]1CO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H13N5O2S/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H3,11,13,14,17)/t5-,6+/m0/s1
InChIKey
OPGJSXWJBUADGE-NTSWFWBYSA-N
Compound name
2-amino-9-[(2R,5S)-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

267.079 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 156.4
[M+Na]+ 290.06822 167.8
[M-H]- 266.07172 157.8
[M+NH4]+ 285.11282 171.7
[M+K]+ 306.04216 162.2
[M+H-H2O]+ 250.07626 149.7
[M+HCOO]- 312.07720 170.2
[M+CH3COO]- 326.09285 167.6
[M+Na-2H]- 288.05367 156.2
[M]+ 267.07845 156.6
[M]- 267.07955 156.6
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