CID 132580955

3-acetyl-2'-deoxyuridine

Structural Information

Molecular Formula
C11H14N2O6
SMILES
CC(=O)N1C(=O)C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H14N2O6/c1-6(15)13-9(17)2-3-12(11(13)18)10-4-7(16)8(5-14)19-10/h2-3,7-8,10,14,16H,4-5H2,1H3/t7-,8+,10+/m0/s1
InChIKey
VDXVWUDUXDCDAI-QXFUBDJGSA-N
Compound name
3-acetyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.08517 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.092446 155.1
[M+Na]+ 293.074388 164.6
[M-H]- 269.077894 158.4
[M+NH4]+ 288.118993 168.3
[M+K]+ 309.048328 163.1
[M+H-H2O]+ 253.082430 148.2
[M+HCOO]- 315.083371 172.5
[M+CH3COO]- 329.099021 191.3
[M+Na-2H]- 291.059836 155.7
[M]+ 270.08462142 156.9
[M]- 270.08571858 156.9
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.