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]+ 291.05308 160.0
[M+Na]+ 313.03502 169.5
[M-H]- 289.03852 164.3
[M+NH4]+ 308.07962 173.7
[M+K]+ 329.00896 164.3
[M+H-H2O]+ 273.04306 152.3
[M+HCOO]- 335.04400 173.7
[M+CH3COO]- 349.05965 201.2
[M+Na-2H]- 311.02047 160.9
[M]+ 290.04525 161.3
[M]- 290.04635 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.