CID 54705385

Schembl4323381

Structural Information

Molecular Formula
C21H21FN2O4
SMILES
CC1=CN(C(=O)C2=C(C(=O)C(=CN12)C(=O)C(C)(C)C)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H21FN2O4/c1-12-9-23(10-13-5-7-14(22)8-6-13)20(28)16-18(26)17(25)15(11-24(12)16)19(27)21(2,3)4/h5-9,11,26H,10H2,1-4H3
InChIKey
AQYPYYNNBBXKHQ-UHFFFAOYSA-N
Compound name
7-(2,2-dimethylpropanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxy-4-methylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.14853 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15581 191.4
[M+Na]+ 407.13775 202.5
[M-H]- 383.14125 195.1
[M+NH4]+ 402.18235 201.4
[M+K]+ 423.11169 196.9
[M+H-H2O]+ 367.14579 181.5
[M+HCOO]- 429.14673 206.1
[M+CH3COO]- 443.16238 221.7
[M+Na-2H]- 405.12320 192.7
[M]+ 384.14798 194.8
[M]- 384.14908 194.8
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