CID 490265

Schembl9699205

Structural Information

Molecular Formula
C14H19N3O5
SMILES
CCCC#CC1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI
InChI=1S/C14H19N3O5/c1-2-3-4-5-8-10(13(15)21)16-7-17(8)14-12(20)11(19)9(6-18)22-14/h7,9,11-12,14,18-20H,2-3,6H2,1H3,(H2,15,21)/t9-,11-,12-,14-/m1/s1
InChIKey
GXSGVLZATZPGIV-XIDUGBJDSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pent-1-ynylimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

309.13248 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13976 169.0
[M+Na]+ 332.12170 177.1
[M-H]- 308.12520 167.7
[M+NH4]+ 327.16630 179.2
[M+K]+ 348.09564 173.6
[M+H-H2O]+ 292.12974 155.5
[M+HCOO]- 354.13068 179.1
[M+CH3COO]- 368.14633 205.9
[M+Na-2H]- 330.10715 164.5
[M]+ 309.13193 162.4
[M]- 309.13303 162.4
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

patents stripe