CID 54705428

Schembl4328517

Structural Information

Molecular Formula
C20H21FN2O4
SMILES
CC(C)(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O4/c1-20(2,3)18(26)14-11-22-8-9-23(10-12-4-6-13(21)7-5-12)19(27)15(22)17(25)16(14)24/h4-7,11,25H,8-10H2,1-3H3
InChIKey
MTGBPLFSMBBCAX-UHFFFAOYSA-N
Compound name
7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

372.14853 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15581 188.2
[M+Na]+ 395.13775 197.0
[M-H]- 371.14125 190.9
[M+NH4]+ 390.18235 198.3
[M+K]+ 411.11169 191.8
[M+H-H2O]+ 355.14579 178.5
[M+HCOO]- 417.14673 200.6
[M+CH3COO]- 431.16238 218.1
[M+Na-2H]- 393.12320 189.0
[M]+ 372.14798 188.1
[M]- 372.14908 188.1
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

patents stripe