CID 54683407

Schembl4318863

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
COCC1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H16Cl2N2O4/c1-25-9-11-7-14(22)16(23)15-17(24)20(4-5-21(11)15)8-10-2-3-12(18)13(19)6-10/h2-3,6-7,23H,4-5,8-9H2,1H3
InChIKey
ZETNVPSWUPKMCW-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

382.0487 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05598 182.3
[M+Na]+ 405.03792 193.8
[M-H]- 381.04142 185.9
[M+NH4]+ 400.08252 193.8
[M+K]+ 421.01186 187.1
[M+H-H2O]+ 365.04596 174.5
[M+HCOO]- 427.04690 189.7
[M+CH3COO]- 441.06255 215.5
[M+Na-2H]- 403.02337 183.5
[M]+ 382.04815 187.9
[M]- 382.04925 187.9
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