CID 54698980

Schembl4328783

Structural Information

Molecular Formula
C18H17Cl2N3O4
SMILES
CN(C)C(=O)C1CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H17Cl2N3O4/c1-21(2)17(26)13-9-22(8-10-3-4-11(19)12(20)7-10)18(27)15-16(25)14(24)5-6-23(13)15/h3-7,13,25H,8-9H2,1-2H3
InChIKey
DWENGHCJNMEAFT-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

409.0596 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.06688 188.3
[M+Na]+ 432.04882 198.7
[M-H]- 408.05232 193.3
[M+NH4]+ 427.09342 199.0
[M+K]+ 448.02276 193.1
[M+H-H2O]+ 392.05686 180.5
[M+HCOO]- 454.05780 196.2
[M+CH3COO]- 468.07345 226.3
[M+Na-2H]- 430.03427 188.0
[M]+ 409.05905 193.8
[M]- 409.06015 193.8
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