CID 54683301

Schembl4328767

Structural Information

Molecular Formula
C20H21ClN2O4
SMILES
CC(C)(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H21ClN2O4/c1-20(2,3)18(26)14-11-22-7-8-23(10-12-5-4-6-13(21)9-12)19(27)15(22)17(25)16(14)24/h4-6,9,11,25H,7-8,10H2,1-3H3
InChIKey
MEIKZSSXJOXUPC-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(2,2-dimethylpropanoyl)-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

388.119 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12628 190.1
[M+Na]+ 411.10822 199.5
[M-H]- 387.11172 194.1
[M+NH4]+ 406.15282 200.6
[M+K]+ 427.08216 193.5
[M+H-H2O]+ 371.11626 181.9
[M+HCOO]- 433.11720 199.1
[M+CH3COO]- 447.13285 219.0
[M+Na-2H]- 409.09367 191.2
[M]+ 388.11845 193.4
[M]- 388.11955 193.4
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