CID 54683436

Schembl14129974

Structural Information

Molecular Formula
C20H13ClFN3O3
SMILES
C1=CC=NC(=C1)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=C(C(=CC=C4)Cl)F
InChI
InChI=1S/C20H13ClFN3O3/c21-14-5-3-4-12(16(14)22)10-25-9-8-24-11-13(15-6-1-2-7-23-15)18(26)19(27)17(24)20(25)28/h1-9,11,27H,10H2
InChIKey
QPSRCHJKUAVLSJ-UHFFFAOYSA-N
Compound name
2-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-7-pyridin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

397.06296 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07024 191.8
[M+Na]+ 420.05218 205.0
[M-H]- 396.05568 196.9
[M+NH4]+ 415.09678 200.1
[M+K]+ 436.02612 196.0
[M+H-H2O]+ 380.06022 179.5
[M+HCOO]- 442.06116 204.2
[M+CH3COO]- 456.07681 201.5
[M+Na-2H]- 418.03763 195.2
[M]+ 397.06241 195.3
[M]- 397.06351 195.3
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

patents stripe