CID 54705333

Schembl14129625

Structural Information

Molecular Formula
C20H19ClN2O4
SMILES
CC(C)(C)C(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H19ClN2O4/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/h4-9,11,25H,10H2,1-3H3
InChIKey
NSRXKDVZUOXTKU-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(2,2-dimethylpropanoyl)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

386.10333 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11061 188.7
[M+Na]+ 409.09255 200.1
[M-H]- 385.09605 193.5
[M+NH4]+ 404.13715 199.4
[M+K]+ 425.06649 193.7
[M+H-H2O]+ 369.10059 180.4
[M+HCOO]- 431.10153 200.5
[M+CH3COO]- 445.11718 218.3
[M+Na-2H]- 407.07800 191.6
[M]+ 386.10278 194.8
[M]- 386.10388 194.8
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.