CID 54683309

Schembl4320847

Structural Information

Molecular Formula
C16H12Cl2N2O4
SMILES
C1CN2C(=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)C=O
InChI
InChI=1S/C16H12Cl2N2O4/c17-11-2-1-9(5-12(11)18)7-19-3-4-20-10(8-21)6-13(22)15(23)14(20)16(19)24/h1-2,5-6,8,23H,3-4,7H2
InChIKey
CDHWPBYUDIECKB-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

366.01743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02471 177.0
[M+Na]+ 389.00665 189.2
[M-H]- 365.01015 180.7
[M+NH4]+ 384.05125 189.0
[M+K]+ 404.98059 182.0
[M+H-H2O]+ 349.01469 169.4
[M+HCOO]- 411.01563 184.8
[M+CH3COO]- 425.03128 212.0
[M+Na-2H]- 386.99210 178.7
[M]+ 366.01688 181.5
[M]- 366.01798 181.5
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