CID 3007126

Schembl6385747

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI
InChI=1S/C9H13N3O5/c10-8(16)4-1-12(3-11-4)9-7(15)6(14)5(2-13)17-9/h1,3,5-7,9,13-15H,2H2,(H2,10,16)/t5-,6-,7-,9-/m1/s1
InChIKey
URMSSWRCAKSNMZ-JXOAFFINSA-N
Compound name
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

27
Patents

243.08553 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.092806 151.1
[M+Na]+ 266.074748 158.2
[M-H]- 242.078254 152.4
[M+NH4]+ 261.119353 165.5
[M+K]+ 282.048688 156.9
[M+H-H2O]+ 226.082790 144.6
[M+HCOO]- 288.083731 168.2
[M+CH3COO]- 302.099381 186.5
[M+Na-2H]- 264.060196 150.0
[M]+ 243.08498142 148.9
[M]- 243.08607858 148.9
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