CID 54683355

Schembl4321063

Structural Information

Molecular Formula
C21H23ClN2O4
SMILES
CCC(C)(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H23ClN2O4/c1-4-21(2,3)19(27)15-12-23-8-9-24(11-13-6-5-7-14(22)10-13)20(28)16(23)18(26)17(15)25/h5-7,10,12,26H,4,8-9,11H2,1-3H3
InChIKey
ONLXRCJPJUQELL-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(2,2-dimethylbutanoyl)-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

402.13464 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14192 194.4
[M+Na]+ 425.12386 203.2
[M-H]- 401.12736 198.1
[M+NH4]+ 420.16846 204.1
[M+K]+ 441.09780 197.0
[M+H-H2O]+ 385.13190 185.9
[M+HCOO]- 447.13284 202.9
[M+CH3COO]- 461.14849 222.6
[M+Na-2H]- 423.10931 194.9
[M]+ 402.13409 198.0
[M]- 402.13519 198.0
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