CID 5279522

2,4(1h,3h)-pyrimidinedione, 1-[[(1r,2r)-2-(hydroxymethyl)-3-methylenecyclopropyl]methyl]-5-chloro-

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
C=C1[C@@H]([C@H]1CO)CN2C=C(C(=O)NC2=O)Cl
InChI
InChI=1S/C10H11ClN2O3/c1-5-6(7(5)4-14)2-13-3-8(11)9(15)12-10(13)16/h3,6-7,14H,1-2,4H2,(H,12,15,16)/t6-,7-/m0/s1
InChIKey
DFMNQTDZRXFHAQ-BQBZGAKWSA-N
Compound name
5-chloro-1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.04582 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 151.9
[M+Na]+ 265.03504 165.3
[M-H]- 241.03854 155.0
[M+NH4]+ 260.07964 162.4
[M+K]+ 281.00898 157.3
[M+H-H2O]+ 225.04308 145.6
[M+HCOO]- 287.04402 167.4
[M+CH3COO]- 301.05967 189.9
[M+Na-2H]- 263.02049 154.4
[M]+ 242.04527 156.3
[M]- 242.04637 156.3
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.