CID 3000377

2am6thioxopur-ddisonucl

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
C1[C@H](CO[C@H]1CO)N2C=NC3=C2NC(=NC3=S)N
InChI
InChI=1S/C10H13N5O2S/c11-10-13-8-7(9(18)14-10)12-4-15(8)5-1-6(2-16)17-3-5/h4-6,16H,1-3H2,(H3,11,13,14,18)/t5-,6-/m1/s1
InChIKey
XPFVZHPZDQEJMI-PHDIDXHHSA-N
Compound name
2-amino-9-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]-3H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.079 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 157.1
[M+Na]+ 290.06822 168.7
[M-H]- 266.07172 159.0
[M+NH4]+ 285.11282 171.1
[M+K]+ 306.04216 163.9
[M+H-H2O]+ 250.07626 150.6
[M+HCOO]- 312.07720 170.1
[M+CH3COO]- 326.09285 168.4
[M+Na-2H]- 288.05367 157.0
[M]+ 267.07845 157.7
[M]- 267.07955 157.7
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

No patent data available for this compound.