CID 6481847

Uridine, 5-thiocyanato- (9ci)

Structural Information

Molecular Formula
C10H11N3O6S
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)SC#N
InChI
InChI=1S/C10H11N3O6S/c11-3-20-5-1-13(10(18)12-8(5)17)9-7(16)6(15)4(2-14)19-9/h1,4,6-7,9,14-16H,2H2,(H,12,17,18)/t4-,6-,7-,9-/m1/s1
InChIKey
QNJDRJNRALPWTL-FJGDRVTGSA-N
Compound name
[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.03687 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04415 164.4
[M+Na]+ 324.02609 175.2
[M-H]- 300.02959 164.6
[M+NH4]+ 319.07069 174.2
[M+K]+ 340.00003 171.9
[M+H-H2O]+ 284.03413 151.6
[M+HCOO]- 346.03507 172.1
[M+CH3COO]- 360.05072 202.1
[M+Na-2H]- 322.01154 162.6
[M]+ 301.03632 160.6
[M]- 301.03742 160.6
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.