CID 135410355

2-amino-9-[[3-(hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]-1h-purin-6-one

Structural Information

Molecular Formula
C15H23N5O2
SMILES
CC1(C(CCC1(C)CO)CN2C=NC3=C2N=C(NC3=O)N)C
InChI
InChI=1S/C15H23N5O2/c1-14(2)9(4-5-15(14,3)7-21)6-20-8-17-10-11(20)18-13(16)19-12(10)22/h8-9,21H,4-7H2,1-3H3,(H3,16,18,19,22)
InChIKey
WMHBKNWGRBZDNK-UHFFFAOYSA-N
Compound name
2-amino-9-[[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.18518 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19246 169.1
[M+Na]+ 328.17440 180.4
[M-H]- 304.17790 170.5
[M+NH4]+ 323.21900 186.3
[M+K]+ 344.14834 174.8
[M+H-H2O]+ 288.18244 161.8
[M+HCOO]- 350.18338 186.0
[M+CH3COO]- 364.19903 179.9
[M+Na-2H]- 326.15985 171.0
[M]+ 305.18463 169.5
[M]- 305.18573 169.5
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.