CID 135524648

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

Structural Information

Molecular Formula
C14H22N6O2
SMILES
CC1(C(CCC1(C)CO)CN2C3=C(C(=O)NC(=N3)N)N=N2)C
InChI
InChI=1S/C14H22N6O2/c1-13(2)8(4-5-14(13,3)7-21)6-20-10-9(18-19-20)11(22)17-12(15)16-10/h8,21H,4-7H2,1-3H3,(H3,15,16,17,22)
InChIKey
HBYFYCDYXIIPDQ-UHFFFAOYSA-N
Compound name
5-amino-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

0
References

0
Patents

306.18042 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18770 169.2
[M+Na]+ 329.16964 180.9
[M-H]- 305.17314 169.5
[M+NH4]+ 324.21424 184.9
[M+K]+ 345.14358 175.4
[M+H-H2O]+ 289.17768 161.4
[M+HCOO]- 351.17862 185.1
[M+CH3COO]- 365.19427 179.6
[M+Na-2H]- 327.15509 171.4
[M]+ 306.17987 169.8
[M]- 306.18097 169.8
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.