CID 54683540

Schembl4329049

Structural Information

Molecular Formula
C17H14Cl2N2O3
SMILES
CCC1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N2O3/c1-2-11-9-20(8-10-3-4-12(18)13(19)7-10)17(24)15-16(23)14(22)5-6-21(11)15/h3-7,9,23H,2,8H2,1H3
InChIKey
PKUPLEYEFUIWAW-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-4-ethyl-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

364.03815 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04543 178.1
[M+Na]+ 387.02737 191.8
[M-H]- 363.03087 182.3
[M+NH4]+ 382.07197 190.6
[M+K]+ 403.00131 183.9
[M+H-H2O]+ 347.03541 170.3
[M+HCOO]- 409.03635 188.0
[M+CH3COO]- 423.05200 189.2
[M+Na-2H]- 385.01282 180.9
[M]+ 364.03760 185.1
[M]- 364.03870 185.1
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

patents stripe