CID 472173

69304-46-7

Structural Information

Molecular Formula
C11H13ClN2O5
SMILES
C=C(C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)Cl
InChI
InChI=1S/C11H13ClN2O5/c1-5(12)6-3-14(11(18)13-10(6)17)9-2-7(16)8(4-15)19-9/h3,7-9,15-16H,1-2,4H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
FQRIBMHYAICHAB-DJLDLDEBSA-N
Compound name
5-(1-chloroethenyl)-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

3
References

11
Patents

288.0513 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05858 159.5
[M+Na]+ 311.04052 169.2
[M-H]- 287.04402 161.2
[M+NH4]+ 306.08512 172.1
[M+K]+ 327.01446 164.6
[M+H-H2O]+ 271.04856 153.5
[M+HCOO]- 333.04950 170.5
[M+CH3COO]- 347.06515 191.2
[M+Na-2H]- 309.02597 158.9
[M]+ 288.05075 160.0
[M]- 288.05185 160.0
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