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]+ 292.17681 165.9
[M+Na]+ 314.15875 177.6
[M-H]- 290.16225 166.2
[M+NH4]+ 309.20335 182.5
[M+K]+ 330.13269 172.4
[M+H-H2O]+ 274.16679 157.7
[M+HCOO]- 336.16773 181.4
[M+CH3COO]- 350.18338 176.7
[M+Na-2H]- 312.14420 168.7
[M]+ 291.16898 167.6
[M]- 291.17008 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.