CID 54683277

Schembl14129709

Structural Information

Molecular Formula
C20H21ClN2O4
SMILES
CC(C)(C)C(C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl)O
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/h4-9,11,18,25-26H,10H2,1-3H3
InChIKey
FHLZYWJCOWCFOV-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1-hydroxy-2,2-dimethylpropyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

388.119 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12628 190.1
[M+Na]+ 411.10822 200.8
[M-H]- 387.11172 193.5
[M+NH4]+ 406.15282 200.2
[M+K]+ 427.08216 194.3
[M+H-H2O]+ 371.11626 182.1
[M+HCOO]- 433.11720 200.2
[M+CH3COO]- 447.13285 216.9
[M+Na-2H]- 409.09367 192.6
[M]+ 388.11845 195.1
[M]- 388.11955 195.1
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.