CID 446856

Alpha-ribazole-5'-phosphate derivative

Structural Information

Molecular Formula
C12H15N2O7P
SMILES
C1=CC=C2C(=C1)N=CN2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1
InChIKey
YPYFPLLZCVEYCS-KKOKHZNYSA-N
Compound name
[(2R,3S,4R,5S)-5-(benzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.06168 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06896 169.2
[M+Na]+ 353.05090 176.4
[M-H]- 329.05440 169.7
[M+NH4]+ 348.09550 181.2
[M+K]+ 369.02484 175.5
[M+H-H2O]+ 313.05894 161.1
[M+HCOO]- 375.05988 189.0
[M+CH3COO]- 389.07553 197.1
[M+Na-2H]- 351.03635 169.6
[M]+ 330.06113 171.6
[M]- 330.06223 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.