CID 54683304

Schembl4315112

Structural Information

Molecular Formula
C16H14Cl2N2O4
SMILES
C1C(N2C=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)CO
InChI
InChI=1S/C16H14Cl2N2O4/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/h1-5,10,21,23H,6-8H2
InChIKey
GYMPJZMZYMKSRO-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(hydroxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

368.03305 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04033 177.9
[M+Na]+ 391.02227 189.5
[M-H]- 367.02577 180.4
[M+NH4]+ 386.06687 189.4
[M+K]+ 406.99621 182.2
[M+H-H2O]+ 351.03031 170.8
[M+HCOO]- 413.03125 184.2
[M+CH3COO]- 427.04690 210.5
[M+Na-2H]- 389.00772 179.3
[M]+ 368.03250 181.5
[M]- 368.03360 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