CID 322542

60333-36-0

Structural Information

Molecular Formula
C20H12Cl4N4O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H12Cl4N4O2/c1-27-18-17(19(29)28(2)20(27)30)25-15(9-3-5-11(21)13(23)7-9)16(26-18)10-4-6-12(22)14(24)8-10/h3-8H,1-2H3
InChIKey
AHGNLWIYXLXLCL-UHFFFAOYSA-N
Compound name
6,7-bis(3,4-dichlorophenyl)-1,3-dimethylpteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.97144 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.97872 202.2
[M+Na]+ 502.96066 216.7
[M-H]- 478.96416 204.8
[M+NH4]+ 498.00526 207.8
[M+K]+ 518.93460 208.8
[M+H-H2O]+ 462.96870 190.7
[M+HCOO]- 524.96964 199.2
[M+CH3COO]- 538.98529 209.6
[M+Na-2H]- 500.94611 201.1
[M]+ 479.97089 208.8
[M]- 479.97199 208.8
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.