CID 135659015

2'-cdg

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@@H](C[C@H]([C@@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-1-5(3-17)7(18)2-6/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7+/m0/s1
InChIKey
ZEKJSNVOQKQOFO-LYFYHCNISA-N
Compound name
2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

326
Patents

265.1175 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 158.1
[M+Na]+ 288.10672 168.3
[M-H]- 264.11022 158.2
[M+NH4]+ 283.15132 171.9
[M+K]+ 304.08066 163.0
[M+H-H2O]+ 248.11476 150.4
[M+HCOO]- 310.11570 174.8
[M+CH3COO]- 324.13135 168.7
[M+Na-2H]- 286.09217 159.0
[M]+ 265.11695 155.9
[M]- 265.11805 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

patents stripe