CID 135429896

Nsc347784

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CC([C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C2N=C(NC3=O)N)O)O)O
InChI
InChI=1S/C11H15N5O5/c1-3(17)7-5(18)6(19)10(21-7)16-2-13-4-8(16)14-11(12)15-9(4)20/h2-3,5-7,10,17-19H,1H3,(H3,12,14,15,20)/t3?,5-,6+,7+,10+/m1/s1
InChIKey
PYNVSZMFFVWFQA-JKDOCAHBSA-N
Compound name
2-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.10733 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 165.6
[M+Na]+ 320.09655 175.4
[M-H]- 296.10005 165.5
[M+NH4]+ 315.14115 176.0
[M+K]+ 336.07049 172.0
[M+H-H2O]+ 280.10459 158.6
[M+HCOO]- 342.10553 179.0
[M+CH3COO]- 356.12118 197.1
[M+Na-2H]- 318.08200 164.7
[M]+ 297.10678 164.8
[M]- 297.10788 164.8
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.