CID 54683521

Schembl4315338

Structural Information

Molecular Formula
C17H15Cl2N3O4
SMILES
CNC(=O)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H15Cl2N3O4/c1-20-16(25)12-7-13(23)15(24)14-17(26)21(4-5-22(12)14)8-9-2-3-10(18)11(19)6-9/h2-3,6-7,24H,4-5,8H2,1H3,(H,20,25)
InChIKey
LDEBOVGTERWRBN-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

395.04398 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.05126 185.3
[M+Na]+ 418.03320 196.0
[M-H]- 394.03670 189.0
[M+NH4]+ 413.07780 195.9
[M+K]+ 434.00714 189.3
[M+H-H2O]+ 378.04124 177.8
[M+HCOO]- 440.04218 193.0
[M+CH3COO]- 454.05783 220.4
[M+Na-2H]- 416.01865 186.1
[M]+ 395.04343 189.2
[M]- 395.04453 189.2
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