CID 454529

Oxathiolan n6-mea-beta

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
CNC1=NC=NC2=C1N(C=N2)[C@@H]3CS[C@@H](O3)CO
InChI
InChI=1S/C10H13N5O2S/c1-11-9-8-10(13-4-12-9)14-5-15(8)6-3-18-7(2-16)17-6/h4-7,16H,2-3H2,1H3,(H,11,12,13)/t6-,7+/m0/s1
InChIKey
JZWKOFQHPPYKSI-NKWVEPMBSA-N
Compound name
[(2R,5S)-5-[6-(methylamino)purin-7-yl]-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.079 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 155.3
[M+Na]+ 290.06822 166.3
[M-H]- 266.07172 158.7
[M+NH4]+ 285.11282 170.0
[M+K]+ 306.04216 163.4
[M+H-H2O]+ 250.07626 148.1
[M+HCOO]- 312.07720 170.3
[M+CH3COO]- 326.09285 167.3
[M+Na-2H]- 288.05367 157.3
[M]+ 267.07845 158.9
[M]- 267.07955 158.9
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.