CID 514814

5-(2-chloroethyl)-2'-deoxyuridine

Structural Information

Molecular Formula
C11H15ClN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)CO)O
InChI
InChI=1S/C11H15ClN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1-3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
UUSHUCRHZYSZKI-DJLDLDEBSA-N
Compound name
5-(2-chloroethyl)-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

19
References

125
Patents

290.06696 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07424 160.7
[M+Na]+ 313.05618 170.4
[M-H]- 289.05968 162.1
[M+NH4]+ 308.10078 173.3
[M+K]+ 329.03012 165.8
[M+H-H2O]+ 273.06422 154.3
[M+HCOO]- 335.06516 172.4
[M+CH3COO]- 349.08081 190.9
[M+Na-2H]- 311.04163 161.2
[M]+ 290.06641 162.4
[M]- 290.06751 162.4
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