CID 54705417

Schembl4325491

Structural Information

Molecular Formula
C17H14Cl2N2O3
SMILES
C1=CC(=C(C(=C1)Cl)CCCN2C=CN3C=CC(=O)C(=C3C2=O)O)Cl
InChI
InChI=1S/C17H14Cl2N2O3/c18-12-4-1-5-13(19)11(12)3-2-7-21-10-9-20-8-6-14(22)16(23)15(20)17(21)24/h1,4-6,8-10,23H,2-3,7H2
InChIKey
UHRRNLDANFFYBK-UHFFFAOYSA-N
Compound name
2-[3-(2,6-dichlorophenyl)propyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 177.9
[M+Na]+ 387.02737 190.7
[M-H]- 363.03087 181.7
[M+NH4]+ 382.07197 190.1
[M+K]+ 403.00131 182.7
[M+H-H2O]+ 347.03541 169.8
[M+HCOO]- 409.03635 187.8
[M+CH3COO]- 423.05200 188.6
[M+Na-2H]- 385.01282 181.4
[M]+ 364.03760 184.4
[M]- 364.03870 184.4
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