CID 482767

Guanosine,2'-deoxy-6-o-methyl-4'-thio-

Structural Information

Molecular Formula
C11H15N5O3S
SMILES
COC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](S3)CO)O)N
InChI
InChI=1S/C11H15N5O3S/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1
InChIKey
QCWJONZOOIDYSL-RRKCRQDMSA-N
Compound name
(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.08957 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09685 163.8
[M+Na]+ 320.07879 174.8
[M-H]- 296.08229 165.3
[M+NH4]+ 315.12339 178.0
[M+K]+ 336.05273 170.3
[M+H-H2O]+ 280.08683 157.1
[M+HCOO]- 342.08777 177.2
[M+CH3COO]- 356.10342 174.7
[M+Na-2H]- 318.06424 162.8
[M]+ 297.08902 166.7
[M]- 297.09012 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.