CID 54705301

Schembl4323853

Structural Information

Molecular Formula
C20H21Cl2N3O4
SMILES
CCN(CC)C(=O)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H21Cl2N3O4/c1-3-23(4-2)19(28)15-10-16(26)18(27)17-20(29)24(7-8-25(15)17)11-12-5-6-13(21)14(22)9-12/h5-6,9-10,27H,3-4,7-8,11H2,1-2H3
InChIKey
SIKIUCNJUWJPEZ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-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

437.0909 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09818 197.3
[M+Na]+ 460.08012 206.7
[M-H]- 436.08362 201.8
[M+NH4]+ 455.12472 206.7
[M+K]+ 476.05406 200.8
[M+H-H2O]+ 420.08816 189.0
[M+HCOO]- 482.08910 204.5
[M+CH3COO]- 496.10475 232.0
[M+Na-2H]- 458.06557 196.0
[M]+ 437.09035 203.4
[M]- 437.09145 203.4
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