CID 135434781

Chembl376652

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1C[C@@H]([C@@H](C1)CO)CN2C3=C(C(=O)NC=N3)N=N2
InChI
InChI=1S/C11H15N5O2/c17-5-8-3-1-2-7(8)4-16-10-9(14-15-16)11(18)13-6-12-10/h6-8,17H,1-5H2,(H,12,13,18)/t7-,8+/m1/s1
InChIKey
MIYASFWBLWKRDQ-SFYZADRCSA-N
Compound name
3-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.12257 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 155.6
[M+Na]+ 272.11179 165.6
[M-H]- 248.11529 155.1
[M+NH4]+ 267.15639 169.4
[M+K]+ 288.08573 160.6
[M+H-H2O]+ 232.11983 146.4
[M+HCOO]- 294.12077 171.8
[M+CH3COO]- 308.13642 166.2
[M+Na-2H]- 270.09724 157.9
[M]+ 249.12202 154.9
[M]- 249.12312 154.9
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.