CID 5274310

1h-imidazole-5-carboxamide, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-1-b-d-ribofuranosyl-

Structural Information

Molecular Formula
C12H15N5O6
SMILES
CC1=NC(=NO1)C2=C(N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)N
InChI
InChI=1S/C12H15N5O6/c1-4-15-11(16-23-4)6-7(10(13)21)17(3-14-6)12-9(20)8(19)5(2-18)22-12/h3,5,8-9,12,18-20H,2H2,1H3,(H2,13,21)/t5-,8-,9-,12-/m1/s1
InChIKey
DTCQNIJGXKBEJG-JJNLEZRASA-N
Compound name
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10223 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10951 169.6
[M+Na]+ 348.09145 178.5
[M-H]- 324.09495 174.3
[M+NH4]+ 343.13605 178.6
[M+K]+ 364.06539 177.8
[M+H-H2O]+ 308.09949 162.6
[M+HCOO]- 370.10043 185.8
[M+CH3COO]- 384.11608 203.2
[M+Na-2H]- 346.07690 166.2
[M]+ 325.10168 172.3
[M]- 325.10278 172.3
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.