CID 54683632

Schembl4327984

Structural Information

Molecular Formula
C18H16Cl2N2O4
SMILES
CCC(=O)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H16Cl2N2O4/c1-2-14(23)13-8-15(24)17(25)16-18(26)21(5-6-22(13)16)9-10-3-4-11(19)12(20)7-10/h3-4,7-8,25H,2,5-6,9H2,1H3
InChIKey
WRYXTCFSQLDMQO-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-propanoyl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

394.0487 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.05598 184.5
[M+Na]+ 417.03792 195.5
[M-H]- 393.04142 188.0
[M+NH4]+ 412.08252 195.4
[M+K]+ 433.01186 188.6
[M+H-H2O]+ 377.04596 176.9
[M+HCOO]- 439.04690 190.8
[M+CH3COO]- 453.06255 218.7
[M+Na-2H]- 415.02337 184.2
[M]+ 394.04815 189.3
[M]- 394.04925 189.3
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