CID 54683901

Schembl4337832

Structural Information

Molecular Formula
C16H12Cl2N2O3
SMILES
CC1=CN2C=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C16H12Cl2N2O3/c1-9-7-19-5-4-13(21)15(22)14(19)16(23)20(9)8-10-2-3-11(17)12(18)6-10/h2-7,22H,8H2,1H3
InChIKey
DXTCHNDTOUGWQM-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-3-methylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

350.0225 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02978 173.5
[M+Na]+ 373.01172 187.7
[M-H]- 349.01522 177.9
[M+NH4]+ 368.05632 186.6
[M+K]+ 388.98566 180.0
[M+H-H2O]+ 333.01976 165.9
[M+HCOO]- 395.02070 183.8
[M+CH3COO]- 409.03635 185.1
[M+Na-2H]- 370.99717 176.9
[M]+ 350.02195 180.2
[M]- 350.02305 180.2
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

patents stripe