CID 135410948

2-amino-9-[(1r,2r)-2-hydroxy-4-(hydroxymethyl)cyclopent-3-en-1-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H13N5O3
SMILES
C1[C@H]([C@@H](C=C1CO)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H13N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-1-5(3-17)2-7(6)18/h2,4,6-7,17-18H,1,3H2,(H3,12,14,15,19)/t6-,7-/m1/s1
InChIKey
PRSZNBMDDYTJCM-RNFRBKRXSA-N
Compound name
2-amino-9-[(1R,2R)-2-hydroxy-4-(hydroxymethyl)cyclopent-3-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.10184 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 156.7
[M+Na]+ 286.09106 167.9
[M-H]- 262.09456 157.2
[M+NH4]+ 281.13566 170.7
[M+K]+ 302.06500 162.4
[M+H-H2O]+ 246.09910 149.1
[M+HCOO]- 308.10004 174.9
[M+CH3COO]- 322.11569 167.8
[M+Na-2H]- 284.07651 158.5
[M]+ 263.10129 155.9
[M]- 263.10239 155.9
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.