CID 54683514

Schembl4320344

Structural Information

Molecular Formula
C16H13Cl2N3O4
SMILES
C1CN2C(=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)C(=O)N
InChI
InChI=1S/C16H13Cl2N3O4/c17-9-2-1-8(5-10(9)18)7-20-3-4-21-11(15(19)24)6-12(22)14(23)13(21)16(20)25/h1-2,5-6,23H,3-4,7H2,(H2,19,24)
InChIKey
FAFGSYCDJDBMLA-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-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

381.02832 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.03560 181.3
[M+Na]+ 404.01754 192.4
[M-H]- 380.02104 184.7
[M+NH4]+ 399.06214 192.1
[M+K]+ 419.99148 185.6
[M+H-H2O]+ 364.02558 174.1
[M+HCOO]- 426.02652 188.7
[M+CH3COO]- 440.04217 217.7
[M+Na-2H]- 402.00299 181.6
[M]+ 381.02777 184.0
[M]- 381.02887 184.0
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