CID 5273018

5-cyano-1-.beta.-d-ribofuranosylimidazole-4-carboxamide

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#N)C(=O)N
InChI
InChI=1S/C10H12N4O5/c11-1-4-6(9(12)18)13-3-14(4)10-8(17)7(16)5(2-15)19-10/h3,5,7-8,10,15-17H,2H2,(H2,12,18)/t5-,7-,8-,10-/m1/s1
InChIKey
UAMHODYXEGPSMN-VPCXQMTMSA-N
Compound name
5-cyano-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.08078 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 155.5
[M+Na]+ 291.07000 164.3
[M-H]- 267.07350 155.7
[M+NH4]+ 286.11460 167.2
[M+K]+ 307.04394 162.4
[M+H-H2O]+ 251.07804 141.8
[M+HCOO]- 313.07898 168.9
[M+CH3COO]- 327.09463 203.3
[M+Na-2H]- 289.05545 153.6
[M]+ 268.08023 148.7
[M]- 268.08133 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.