CID 514817

97975-02-5

Structural Information

Molecular Formula
C11H14Cl2N2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)CCl)O
InChI
InChI=1S/C11H14Cl2N2O4/c12-2-1-6-5-15(11(18)14-10(6)17)9-3-7(16)8(4-13)19-9/h5,7-9,16H,1-4H2,(H,14,17,18)/t7-,8+,9+/m0/s1
InChIKey
UZZUOHQKNROJAN-DJLDLDEBSA-N
Compound name
5-(2-chloroethyl)-1-[(2R,4S,5S)-5-(chloromethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.03305 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04033 163.7
[M+Na]+ 331.02227 174.2
[M-H]- 307.02577 165.7
[M+NH4]+ 326.06687 176.8
[M+K]+ 346.99621 168.7
[M+H-H2O]+ 291.03031 157.6
[M+HCOO]- 353.03125 171.5
[M+CH3COO]- 367.04690 195.3
[M+Na-2H]- 329.00772 163.7
[M]+ 308.03250 166.6
[M]- 308.03360 166.6
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.