CID 54683505

Schembl4324088

Structural Information

Molecular Formula
C18H16Cl2N2O3
SMILES
CC(C)C1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O3/c1-10(2)14-9-21(8-11-3-4-12(19)13(20)7-11)18(25)16-17(24)15(23)5-6-22(14)16/h3-7,9-10,24H,8H2,1-2H3
InChIKey
BPLLSOJYOALCQZ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[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 181.2
[M+Na]+ 401.04302 194.2
[M-H]- 377.04652 185.4
[M+NH4]+ 396.08762 193.1
[M+K]+ 417.01696 186.6
[M+H-H2O]+ 361.05106 173.5
[M+HCOO]- 423.05200 189.9
[M+CH3COO]- 437.06765 216.5
[M+Na-2H]- 399.02847 182.6
[M]+ 378.05325 188.1
[M]- 378.05435 188.1
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.