CID 12000018

1,3-bis(2-chlorobenzyl)pyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C18H14Cl2N2O2
SMILES
C1=CC=C(C(=C1)CN2C=CC(=O)N(C2=O)CC3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C18H14Cl2N2O2/c19-15-7-3-1-5-13(15)11-21-10-9-17(23)22(18(21)24)12-14-6-2-4-8-16(14)20/h1-10H,11-12H2
InChIKey
KZONDATXQYPIQB-UHFFFAOYSA-N
Compound name
1,3-bis[(2-chlorophenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.04324 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05052 178.9
[M+Na]+ 383.03246 190.9
[M-H]- 359.03596 185.6
[M+NH4]+ 378.07706 190.3
[M+K]+ 399.00640 182.5
[M+H-H2O]+ 343.04050 169.0
[M+HCOO]- 405.04144 191.1
[M+CH3COO]- 419.05709 189.9
[M+Na-2H]- 381.01791 182.1
[M]+ 360.04269 184.3
[M]- 360.04379 184.3
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.