CID 467471

[(3s,4s)-2-(6-amino-purin-9-yl)-4-hydroxymethyl-tetrahydro-thiophen-3-yl]-methanol

Structural Information

Molecular Formula
C11H15N5O2S
SMILES
C1[C@@H]([C@H](C(S1)N2C=NC3=C(N=CN=C32)N)CO)CO
InChI
InChI=1S/C11H15N5O2S/c12-9-8-10(14-4-13-9)16(5-15-8)11-7(2-18)6(1-17)3-19-11/h4-7,11,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,11?/m0/s1
InChIKey
PMHKBQKMPQSXRM-IBHKLULDSA-N
Compound name
[(3S,4S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-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 160.1
[M+Na]+ 304.08386 170.7
[M-H]- 280.08736 161.3
[M+NH4]+ 299.12846 174.9
[M+K]+ 320.05780 165.7
[M+H-H2O]+ 264.09190 153.2
[M+HCOO]- 326.09284 173.5
[M+CH3COO]- 340.10849 171.0
[M+Na-2H]- 302.06931 159.6
[M]+ 281.09409 161.4
[M]- 281.09519 161.4
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

No patent data available for this compound.