CID 54678877

Schembl4315607

Structural Information

Molecular Formula
C18H16Cl2N2O3
SMILES
CCCC1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O3/c1-2-3-12-10-21(9-11-4-5-13(19)14(20)8-11)18(25)16-17(24)15(23)6-7-22(12)16/h4-8,10,24H,2-3,9H2,1H3
InChIKey
JPNWWYOFFLDYQY-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

378.0538 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06108 182.6
[M+Na]+ 401.04302 195.9
[M-H]- 377.04652 186.6
[M+NH4]+ 396.08762 194.6
[M+K]+ 417.01696 187.8
[M+H-H2O]+ 361.05106 174.6
[M+HCOO]- 423.05200 192.2
[M+CH3COO]- 437.06765 215.6
[M+Na-2H]- 399.02847 184.9
[M]+ 378.05325 189.9
[M]- 378.05435 189.9
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

patents stripe