CID 54683615

Schembl4316475

Structural Information

Molecular Formula
C22H24ClFN2O4
SMILES
CC(C)(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CCCC3=C(C=CC=C3Cl)F
InChI
InChI=1S/C22H24ClFN2O4/c1-22(2,3)20(29)14-12-26-11-10-25(21(30)17(26)19(28)18(14)27)9-5-6-13-15(23)7-4-8-16(13)24/h4,7-8,12,28H,5-6,9-11H2,1-3H3
InChIKey
MXNYCXCJVYDBIJ-UHFFFAOYSA-N
Compound name
2-[3-(2-chloro-6-fluorophenyl)propyl]-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

11
Patents

434.14087 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14815 202.2
[M+Na]+ 457.13009 211.6
[M-H]- 433.13359 204.7
[M+NH4]+ 452.17469 210.9
[M+K]+ 473.10403 204.8
[M+H-H2O]+ 417.13813 192.8
[M+HCOO]- 479.13907 209.3
[M+CH3COO]- 493.15472 228.8
[M+Na-2H]- 455.11554 200.9
[M]+ 434.14032 205.5
[M]- 434.14142 205.5
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.