CID 54683542

Schembl14129919

Structural Information

Molecular Formula
C22H25FN2O4
SMILES
CC1(CN(C(=O)C2=C(C(=O)C(=CN21)C(=O)C(C)(C)C)O)CC3=CC=C(C=C3)F)C
InChI
InChI=1S/C22H25FN2O4/c1-21(2,3)19(28)15-11-25-16(18(27)17(15)26)20(29)24(12-22(25,4)5)10-13-6-8-14(23)9-7-13/h6-9,11,27H,10,12H2,1-5H3
InChIKey
MOUYQTLUADFEQL-UHFFFAOYSA-N
Compound name
7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4,4-dimethyl-3H-pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

400.17984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18712 195.2
[M+Na]+ 423.16906 205.0
[M-H]- 399.17256 198.2
[M+NH4]+ 418.21366 206.6
[M+K]+ 439.14300 200.1
[M+H-H2O]+ 383.17710 186.1
[M+HCOO]- 445.17804 206.9
[M+CH3COO]- 459.19369 224.9
[M+Na-2H]- 421.15451 195.8
[M]+ 400.17929 196.7
[M]- 400.18039 196.7
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.