CID 461316

1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]imidazole-4-carboxamide

Structural Information

Molecular Formula
C8H11N3O3S
SMILES
C1[C@H](O[C@H](S1)CO)N2C=C(N=C2)C(=O)N
InChI
InChI=1S/C8H11N3O3S/c9-8(13)5-1-11(4-10-5)6-3-15-7(2-12)14-6/h1,4,6-7,12H,2-3H2,(H2,9,13)/t6-,7+/m0/s1
InChIKey
JKLYNZCBWPPKIW-NKWVEPMBSA-N
Compound name
1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.05211 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05939 148.2
[M+Na]+ 252.04133 156.0
[M-H]- 228.04483 152.0
[M+NH4]+ 247.08593 165.2
[M+K]+ 268.01527 154.8
[M+H-H2O]+ 212.04937 141.9
[M+HCOO]- 274.05031 163.6
[M+CH3COO]- 288.06596 184.5
[M+Na-2H]- 250.02678 146.8
[M]+ 229.05156 148.2
[M]- 229.05266 148.2
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.