CID 135412751

2-amino-9-((1s,3r)-3-hydroxymethyl-2,2-dimethyl-cyclobutylmethyl)-1,9-dihydro-purin-6-one

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CC1([C@H](C[C@H]1CO)CN2C=NC3=C2N=C(NC3=O)N)C
InChI
InChI=1S/C13H19N5O2/c1-13(2)7(3-8(13)5-19)4-18-6-15-9-10(18)16-12(14)17-11(9)20/h6-8,19H,3-5H2,1-2H3,(H3,14,16,17,20)/t7-,8+/m1/s1
InChIKey
RCLVVIKNOUZNSQ-SFYZADRCSA-N
Compound name
2-amino-9-[[(1S,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.15387 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16115 169.2
[M+Na]+ 300.14309 178.7
[M-H]- 276.14659 169.8
[M+NH4]+ 295.18769 177.2
[M+K]+ 316.11703 176.2
[M+H-H2O]+ 260.15113 156.0
[M+HCOO]- 322.15207 185.0
[M+CH3COO]- 336.16772 201.2
[M+Na-2H]- 298.12854 171.4
[M]+ 277.15332 178.1
[M]- 277.15442 178.1
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.