CID 135446939

5-amino-3-[[(1s,3r)-3-(hydroxymethyl)cyclopentyl]methyl]-6h-triazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C11H16N6O2
SMILES
C1C[C@H](C[C@H]1CN2C3=C(C(=O)NC(=N3)N)N=N2)CO
InChI
InChI=1S/C11H16N6O2/c12-11-13-9-8(10(19)14-11)15-16-17(9)4-6-1-2-7(3-6)5-18/h6-7,18H,1-5H2,(H3,12,13,14,19)/t6-,7+/m0/s1
InChIKey
CLDXMZKUMVSEPW-NKWVEPMBSA-N
Compound name
5-amino-3-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13348 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.140756 159.1
[M+Na]+ 287.122698 169.1
[M-H]- 263.126204 158.8
[M+NH4]+ 282.167303 172.1
[M+K]+ 303.096638 163.7
[M+H-H2O]+ 247.130740 150.1
[M+HCOO]- 309.131681 175.8
[M+CH3COO]- 323.147331 169.4
[M+Na-2H]- 285.108146 160.7
[M]+ 264.13293142 157.4
[M]- 264.13402858 157.4
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.