CID 11633356

1,3-bis[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H12Cl4N2O2
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=CC(=O)N(C2=O)CC3=C(C=CC=C3Cl)Cl)Cl
InChI
InChI=1S/C18H12Cl4N2O2/c19-13-3-1-4-14(20)11(13)9-23-8-7-17(25)24(18(23)26)10-12-15(21)5-2-6-16(12)22/h1-8H,9-10H2
InChIKey
UECUPWWVAFECLV-UHFFFAOYSA-N
Compound name
1,3-bis[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.9653 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.97258 188.3
[M+Na]+ 450.95452 200.8
[M-H]- 426.95802 192.2
[M+NH4]+ 445.99912 197.4
[M+K]+ 466.92846 192.9
[M+H-H2O]+ 410.96256 179.4
[M+HCOO]- 472.96350 189.3
[M+CH3COO]- 486.97915 197.1
[M+Na-2H]- 448.93997 187.7
[M]+ 427.96475 193.9
[M]- 427.96585 193.9
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.