CID 165388

Carboxyaminoimidazole ribotide

Structural Information

Molecular Formula
C9H14N3O9P
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O
InChI
InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
InChIKey
XFVULMDJZXYMSG-ZIYNGMLESA-N
Compound name
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1322
References

391
Patents

339.04675 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05403 169.5
[M+Na]+ 362.03597 171.8
[M+NH4]+ 357.08057 169.1
[M+K]+ 378.00991 179.9
[M-H]- 338.03947 164.7
[M+Na-2H]- 360.02142 165.3
[M]+ 339.04620 167.2
[M]- 339.04730 167.2
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