CID 135499476

2-amino-9-[4-(hydroxymethyl)tetrahydrothiophen-2-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
C1C(CSC1N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C10H13N5O2S/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-1-5(2-16)3-18-6/h4-6,16H,1-3H2,(H3,11,13,14,17)
InChIKey
MGNRLAQNDOXHOP-UHFFFAOYSA-N
Compound name
2-amino-9-[4-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.079 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 156.4
[M+Na]+ 290.06822 167.8
[M-H]- 266.07172 157.8
[M+NH4]+ 285.11282 171.7
[M+K]+ 306.04216 162.2
[M+H-H2O]+ 250.07626 149.7
[M+HCOO]- 312.07720 170.2
[M+CH3COO]- 326.09285 167.6
[M+Na-2H]- 288.05367 156.2
[M]+ 267.07845 156.6
[M]- 267.07955 156.6
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.