CID 54681834

Schembl4330795

Structural Information

Molecular Formula
C16H12Cl2N2O4
SMILES
C1=CC(=C(C=C1CN2C=C(N3C=CC(=O)C(=C3C2=O)O)CO)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O4/c17-11-2-1-9(5-12(11)18)6-19-7-10(8-21)20-4-3-13(22)15(23)14(20)16(19)24/h1-5,7,21,23H,6,8H2
InChIKey
JGJYNOMUINCZCN-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

366.01743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02471 175.8
[M+Na]+ 389.00665 189.3
[M-H]- 365.01015 179.0
[M+NH4]+ 384.05125 187.5
[M+K]+ 404.98059 181.7
[M+H-H2O]+ 349.01469 168.6
[M+HCOO]- 411.01563 184.9
[M+CH3COO]- 425.03128 186.7
[M+Na-2H]- 386.99210 179.1
[M]+ 366.01688 182.2
[M]- 366.01798 182.2
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

No patent data available for this compound.