CID 15954295

108664-30-8

Structural Information

Molecular Formula
C14H11ClN2O3
SMILES
CC1C(=O)C=NC(=O)N1C(=C)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClN2O3/c1-8-12(18)7-16-14(20)17(8)9(2)13(19)10-3-5-11(15)6-4-10/h3-8H,2H2,1H3
InChIKey
ZTQSBJICEOCXSI-UHFFFAOYSA-N
Compound name
3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-methyl-4H-pyrimidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.0458 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.053076 160.0
[M+Na]+ 313.035018 169.5
[M-H]- 289.038524 164.3
[M+NH4]+ 308.079623 173.7
[M+K]+ 329.008958 164.3
[M+H-H2O]+ 273.043060 152.3
[M+HCOO]- 335.044001 173.7
[M+CH3COO]- 349.059651 201.2
[M+Na-2H]- 311.020466 160.9
[M]+ 290.04525142 161.3
[M]- 290.04634858 161.3
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.