CID 454777

Ddamtp

Structural Information

Molecular Formula
C11H15N5O2S
SMILES
CSC1=NC(=NC2=C1N=CN2[C@H]3CC[C@H](O3)CO)N
InChI
InChI=1S/C11H15N5O2S/c1-19-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)18-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1
InChIKey
PGICGCHWTDDIRN-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(2-amino-6-methylsulfanylpurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10192 161.0
[M+Na]+ 304.08386 172.3
[M-H]- 280.08736 164.1
[M+NH4]+ 299.12846 175.2
[M+K]+ 320.05780 168.8
[M+H-H2O]+ 264.09190 154.0
[M+HCOO]- 326.09284 175.0
[M+CH3COO]- 340.10849 172.6
[M+Na-2H]- 302.06931 160.8
[M]+ 281.09409 164.4
[M]- 281.09519 164.4
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.