CID 134817111

Schembl26114063

Structural Information

Molecular Formula
C12H16N6O3
SMILES
C=C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)N)O)CO
InChI
InChI=1S/C12H16N6O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(13)16-11(14)17-10(8)18/h2,5-7,19-20H,1,3-4H2,(H4,13,14,16,17)/t6-,7+,12+/m0/s1
InChIKey
UZGFETRYZHMOTM-QRPMWFLTSA-N
Compound name
(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-ethenyl-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

292.1284 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13568 164.3
[M+Na]+ 315.11762 174.8
[M-H]- 291.12112 166.0
[M+NH4]+ 310.16222 177.8
[M+K]+ 331.09156 170.7
[M+H-H2O]+ 275.12566 156.6
[M+HCOO]- 337.12660 181.7
[M+CH3COO]- 351.14225 174.9
[M+Na-2H]- 313.10307 166.6
[M]+ 292.12785 163.6
[M]- 292.12895 163.6
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