CID 124466

5-formyloxymethyluridine

Structural Information

Molecular Formula
C11H14N2O8
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)COC=O
InChI
InChI=1S/C11H14N2O8/c14-2-6-7(16)8(17)10(21-6)13-1-5(3-20-4-15)9(18)12-11(13)19/h1,4,6-8,10,14,16-17H,2-3H2,(H,12,18,19)/t6-,7-,8-,10-/m1/s1
InChIKey
JZTZVTCZKZHFNF-FDDDBJFASA-N
Compound name
[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

302.075 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08228 160.7
[M+Na]+ 325.06422 169.5
[M-H]- 301.06772 161.3
[M+NH4]+ 320.10882 170.9
[M+K]+ 341.03816 167.3
[M+H-H2O]+ 285.07226 153.7
[M+HCOO]- 347.07320 176.1
[M+CH3COO]- 361.08885 193.1
[M+Na-2H]- 323.04967 161.1
[M]+ 302.07445 162.7
[M]- 302.07555 162.7
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