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]+ 278.12478 159.4
[M+Na]+ 300.10672 169.6
[M-H]- 276.11022 160.6
[M+NH4]+ 295.15132 173.1
[M+K]+ 316.08066 164.7
[M+H-H2O]+ 260.11476 150.9
[M+HCOO]- 322.11570 178.7
[M+CH3COO]- 336.13135 170.4
[M+Na-2H]- 298.09217 161.9
[M]+ 277.11695 160.2
[M]- 277.11805 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.