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]+ 243.053096 151.9
[M+Na]+ 265.035038 165.3
[M-H]- 241.038544 155.0
[M+NH4]+ 260.079643 162.4
[M+K]+ 281.008978 157.3
[M+H-H2O]+ 225.043080 145.6
[M+HCOO]- 287.044021 167.4
[M+CH3COO]- 301.059671 189.9
[M+Na-2H]- 263.020486 154.4
[M]+ 242.04527142 156.3
[M]- 242.04636858 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.