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

2
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

literature stripe

Patent stripe

patents stripe