CID 135480595

9-(3'-c-cyano-2',3'-didehydro-3'-deoxy-l-furanosyl)guanosine

Structural Information

Molecular Formula
C11H10N6O3
SMILES
C1=C([C@@H](O[C@@H]1N2C=NC3=C2N=C(NC3=O)N)CO)C#N
InChI
InChI=1S/C11H10N6O3/c12-2-5-1-7(20-6(5)3-18)17-4-14-8-9(17)15-11(13)16-10(8)19/h1,4,6-7,18H,3H2,(H3,13,15,16,19)/t6-,7-/m0/s1
InChIKey
LMGBMSXOHPVTDA-BQBZGAKWSA-N
Compound name
(2R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08145 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08873 157.7
[M+Na]+ 297.07067 169.8
[M-H]- 273.07417 157.2
[M+NH4]+ 292.11527 168.1
[M+K]+ 313.04461 165.0
[M+H-H2O]+ 257.07871 141.9
[M+HCOO]- 319.07965 172.1
[M+CH3COO]- 333.09530 167.0
[M+Na-2H]- 295.05612 159.4
[M]+ 274.08090 153.0
[M]- 274.08200 153.0
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.