CID 16019958

Imidazoleacetic acid ribotide

Structural Information

Molecular Formula
C10H15N2O9P
SMILES
C1=C(N=CN1C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CC(=O)O
InChI
InChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/t6-,8-,9-,10?/m1/s1
InChIKey
RDQUQBHPMYFYMX-XIWVQZPPSA-N
Compound name
2-[1-[(3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2
Patents

338.0515 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05878 168.4
[M+Na]+ 361.04072 172.9
[M-H]- 337.04422 166.1
[M+NH4]+ 356.08532 177.8
[M+K]+ 377.01466 173.7
[M+H-H2O]+ 321.04876 160.4
[M+HCOO]- 383.04970 185.6
[M+CH3COO]- 397.06535 196.7
[M+Na-2H]- 359.02617 165.9
[M]+ 338.05095 169.4
[M]- 338.05205 169.4
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

patents stripe