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]+ 271.09245 155.1
[M+Na]+ 293.07439 164.6
[M-H]- 269.07789 158.4
[M+NH4]+ 288.11899 168.3
[M+K]+ 309.04833 163.1
[M+H-H2O]+ 253.08243 148.2
[M+HCOO]- 315.08337 172.5
[M+CH3COO]- 329.09902 191.3
[M+Na-2H]- 291.05984 155.7
[M]+ 270.08462 156.9
[M]- 270.08572 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.