CID 446491

Mono-[3,4-dihydroxy-5-(5-methyl-benzoimidazol-1-yl)-tetrahydor-furan-2-ylmethyl] ester

Structural Information

Molecular Formula
C13H17N2O7P
SMILES
CC1=CC2=C(C=C1)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C13H17N2O7P/c1-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(22-13)5-21-23(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1
InChIKey
HGUDFQQPANTQEU-LPWJVIDDSA-N
Compound name
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(5-methylbenzimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.07733 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08461 174.5
[M+Na]+ 367.06655 182.0
[M-H]- 343.07005 175.2
[M+NH4]+ 362.11115 186.2
[M+K]+ 383.04049 180.9
[M+H-H2O]+ 327.07459 166.5
[M+HCOO]- 389.07553 193.8
[M+CH3COO]- 403.09118 201.5
[M+Na-2H]- 365.05200 173.7
[M]+ 344.07678 177.6
[M]- 344.07788 177.6
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.