CID 452093

2-cn-dda

Structural Information

Molecular Formula
C11H12N6O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)C#N)N
InChI
InChI=1S/C11H12N6O2/c12-3-7-15-10(13)9-11(16-7)17(5-14-9)8-2-1-6(4-18)19-8/h5-6,8,18H,1-2,4H2,(H2,13,15,16)/t6-,8+/m0/s1
InChIKey
AJLNSZXRKWSDGC-POYBYMJQSA-N
Compound name
6-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.10217 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10945 152.6
[M+Na]+ 283.09139 163.6
[M-H]- 259.09489 152.6
[M+NH4]+ 278.13599 164.0
[M+K]+ 299.06533 159.3
[M+H-H2O]+ 243.09943 136.3
[M+HCOO]- 305.10037 166.9
[M+CH3COO]- 319.11602 162.1
[M+Na-2H]- 281.07684 154.7
[M]+ 260.10162 147.3
[M]- 260.10272 147.3
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