CID 54683402

Schembl13892360

Structural Information

Molecular Formula
C21H21FN2O4
SMILES
CCC(C)(C)C(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H21FN2O4/c1-4-21(2,3)19(27)15-12-23-9-10-24(11-13-5-7-14(22)8-6-13)20(28)16(23)18(26)17(15)25/h5-10,12,26H,4,11H2,1-3H3
InChIKey
LAATYLUSIQIAEU-UHFFFAOYSA-N
Compound name
7-(2,2-dimethylbutanoyl)-2-[(4-fluorophenyl)methyl]-9-hydroxypyrido[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 191.3
[M+Na]+ 407.13775 201.4
[M-H]- 383.14125 194.5
[M+NH4]+ 402.18235 200.9
[M+K]+ 423.11169 195.7
[M+H-H2O]+ 367.14579 181.1
[M+HCOO]- 429.14673 206.1
[M+CH3COO]- 443.16238 221.0
[M+Na-2H]- 405.12320 193.3
[M]+ 384.14798 194.3
[M]- 384.14908 194.3
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.