CID 16076873

1-[(1r,2s)-2-(hydroxymethyl)-1-phenyl-cyclopropyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1[C@@H]([C@]1(C2=CC=CC=C2)N3C=CC(=O)NC3=O)CO
InChI
InChI=1S/C14H14N2O3/c17-9-11-8-14(11,10-4-2-1-3-5-10)16-7-6-12(18)15-13(16)19/h1-7,11,17H,8-9H2,(H,15,18,19)/t11-,14+/m1/s1
InChIKey
IWTMYQPCZJWJGZ-RISCZKNCSA-N
Compound name
1-[(1R,2S)-2-(hydroxymethyl)-1-phenylcyclopropyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 161.1
[M+Na]+ 281.08965 172.5
[M-H]- 257.09315 167.0
[M+NH4]+ 276.13425 171.2
[M+K]+ 297.06359 166.7
[M+H-H2O]+ 241.09769 153.3
[M+HCOO]- 303.09863 181.1
[M+CH3COO]- 317.11428 172.4
[M+Na-2H]- 279.07510 167.0
[M]+ 258.09988 163.0
[M]- 258.10098 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.