CID 54683447

Schembl14129728

Structural Information

Molecular Formula
C19H17ClN2O4
SMILES
CC(C)C(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H17ClN2O4/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/h3-8,10-11,25H,9H2,1-2H3
InChIKey
BIMHJZSBPMSOSQ-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(2-methylpropanoyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

372.08768 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09496 182.0
[M+Na]+ 395.07690 193.2
[M-H]- 371.08040 186.7
[M+NH4]+ 390.12150 193.1
[M+K]+ 411.05084 186.9
[M+H-H2O]+ 355.08494 173.5
[M+HCOO]- 417.08588 194.8
[M+CH3COO]- 431.10153 216.6
[M+Na-2H]- 393.06235 183.4
[M]+ 372.08713 187.8
[M]- 372.08823 187.8
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.