CID 54683600

Schembl4330657

Structural Information

Molecular Formula
C21H23FN2O5
SMILES
CC(C)(COC)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN2O5/c1-21(2,12-29-3)19(27)15-11-23-8-9-24(10-13-4-6-14(22)7-5-13)20(28)16(23)18(26)17(15)25/h4-7,11,26H,8-10,12H2,1-3H3
InChIKey
HCPVOLBVNNJRDC-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(3-methoxy-2,2-dimethylpropanoyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

402.1591 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16638 195.2
[M+Na]+ 425.14832 203.1
[M-H]- 401.15182 197.5
[M+NH4]+ 420.19292 203.7
[M+K]+ 441.12226 198.5
[M+H-H2O]+ 385.15636 185.0
[M+HCOO]- 447.15730 207.3
[M+CH3COO]- 461.17295 224.0
[M+Na-2H]- 423.13377 195.6
[M]+ 402.15855 196.9
[M]- 402.15965 196.9
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