CID 44438825

4'-c-1-propyn-1-yluridine

Structural Information

Molecular Formula
C12H14N2O6
SMILES
CC#C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)CO
InChI
InChI=1S/C12H14N2O6/c1-2-4-12(6-15)9(18)8(17)10(20-12)14-5-3-7(16)13-11(14)19/h3,5,8-10,15,17-18H,6H2,1H3,(H,13,16,19)/t8-,9+,10-,12-/m1/s1
InChIKey
QAAIRYIYSHBVAE-DTHBNOIPSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-prop-1-ynyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.08517 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09245 158.7
[M+Na]+ 305.07439 169.9
[M-H]- 281.07789 157.2
[M+NH4]+ 300.11899 170.1
[M+K]+ 321.04833 165.1
[M+H-H2O]+ 265.08243 146.4
[M+HCOO]- 327.08337 168.4
[M+CH3COO]- 341.09902 195.1
[M+Na-2H]- 303.05984 159.5
[M]+ 282.08462 152.6
[M]- 282.08572 152.6
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

No patent data available for this compound.