CID 135524647

3-[[3-(hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]-6h-triazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CC1(C(CCC1(C)CO)CN2C3=C(C(=O)NC=N3)N=N2)C
InChI
InChI=1S/C14H21N5O2/c1-13(2)9(4-5-14(13,3)7-20)6-19-11-10(17-18-19)12(21)16-8-15-11/h8-9,20H,4-7H2,1-3H3,(H,15,16,21)
InChIKey
ARTKGJDIVNUXLA-UHFFFAOYSA-N
Compound name
3-[[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.16953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.176806 165.9
[M+Na]+ 314.158748 177.6
[M-H]- 290.162254 166.2
[M+NH4]+ 309.203353 182.5
[M+K]+ 330.132688 172.4
[M+H-H2O]+ 274.166790 157.7
[M+HCOO]- 336.167731 181.4
[M+CH3COO]- 350.183381 176.7
[M+Na-2H]- 312.144196 168.7
[M]+ 291.16898142 167.6
[M]- 291.17007858 167.6
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.