CID 25201011

N5-carboxyaminoimidazole ribonucleotide

Structural Information

Molecular Formula
C9H14N3O9P
SMILES
C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)NC(=O)O
InChI
InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)
InChIKey
JHLXDWGVSYMXPL-UHFFFAOYSA-N
Compound name
[3-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

339.04675 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05403 166.6
[M+Na]+ 362.03597 170.5
[M-H]- 338.03947 164.6
[M+NH4]+ 357.08057 175.6
[M+K]+ 378.00991 171.6
[M+H-H2O]+ 322.04401 158.2
[M+HCOO]- 384.04495 185.1
[M+CH3COO]- 398.06060 198.8
[M+Na-2H]- 360.02142 165.3
[M]+ 339.04620 166.4
[M]- 339.04730 166.4
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

No patent data available for this compound.