CID 3070519

Pyrido(3,2-d)pyrimidin-4(3h)-one, 3-(2,4-dichlorophenyl)-2-methyl-

Structural Information

Molecular Formula
C14H9Cl2N3O
SMILES
CC1=NC2=C(C(=O)N1C3=C(C=C(C=C3)Cl)Cl)N=CC=C2
InChI
InChI=1S/C14H9Cl2N3O/c1-8-18-11-3-2-6-17-13(11)14(20)19(8)12-5-4-9(15)7-10(12)16/h2-7H,1H3
InChIKey
VLEFLMFXKHSAPP-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-2-methylpyrido[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.01227 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01955 164.0
[M+Na]+ 328.00149 177.6
[M-H]- 304.00499 167.5
[M+NH4]+ 323.04609 177.6
[M+K]+ 343.97543 169.9
[M+H-H2O]+ 288.00953 154.8
[M+HCOO]- 350.01047 174.2
[M+CH3COO]- 364.02612 175.7
[M+Na-2H]- 325.98694 170.0
[M]+ 305.01172 168.9
[M]- 305.01282 168.9
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.