CID 135453928

2-amino-9-[(1r,4s)-4-(2-hydroxyethoxy)cyclopent-2-en-1-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C12H15N5O3
SMILES
C1[C@H](C=C[C@H]1OCCO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C12H15N5O3/c13-12-15-10-9(11(19)16-12)14-6-17(10)7-1-2-8(5-7)20-4-3-18/h1-2,6-8,18H,3-5H2,(H3,13,15,16,19)/t7-,8+/m0/s1
InChIKey
NQRAFVVYINSHED-JGVFFNPUSA-N
Compound name
2-amino-9-[(1R,4S)-4-(2-hydroxyethoxy)cyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1175 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.124776 159.4
[M+Na]+ 300.106718 169.6
[M-H]- 276.110224 160.6
[M+NH4]+ 295.151323 173.1
[M+K]+ 316.080658 164.7
[M+H-H2O]+ 260.114760 150.9
[M+HCOO]- 322.115701 178.7
[M+CH3COO]- 336.131351 170.4
[M+Na-2H]- 298.092166 161.9
[M]+ 277.11695142 160.2
[M]- 277.11804858 160.2
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.