CID 54683547

Schembl4324482

Structural Information

Molecular Formula
C19H19ClN2O4
SMILES
CC(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H19ClN2O4/c1-11(2)16(23)14-10-21-6-7-22(9-12-4-3-5-13(20)8-12)19(26)15(21)18(25)17(14)24/h3-5,8,10-11,25H,6-7,9H2,1-2H3
InChIKey
BWYJQVAMMOJHQL-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

374.10333 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11061 183.7
[M+Na]+ 397.09255 192.9
[M-H]- 373.09605 187.5
[M+NH4]+ 392.13715 194.5
[M+K]+ 413.06649 186.9
[M+H-H2O]+ 357.10059 175.3
[M+HCOO]- 419.10153 193.7
[M+CH3COO]- 433.11718 217.2
[M+Na-2H]- 395.07800 183.2
[M]+ 374.10278 186.6
[M]- 374.10388 186.6
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.