CID 134817142

Schembl26116008

Structural Information

Molecular Formula
C12H18N6O3
SMILES
CC[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)N)O)CO
InChI
InChI=1S/C12H18N6O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(13)16-11(14)17-10(8)18/h5-7,19-20H,2-4H2,1H3,(H4,13,14,16,17)/t6-,7+,12+/m0/s1
InChIKey
PISJLYJYHHTLQQ-QRPMWFLTSA-N
Compound name
(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-ethyl-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.14404 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15132 164.6
[M+Na]+ 317.13326 174.9
[M-H]- 293.13676 166.3
[M+NH4]+ 312.17786 178.2
[M+K]+ 333.10720 171.4
[M+H-H2O]+ 277.14130 157.0
[M+HCOO]- 339.14224 181.9
[M+CH3COO]- 353.15789 175.3
[M+Na-2H]- 315.11871 167.0
[M]+ 294.14349 164.7
[M]- 294.14459 164.7
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

patents stripe