CID 54705436

Schembl14129866

Structural Information

Molecular Formula
C20H15ClFN3O3
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=CC=NC=C3)O)CC4=C(C(=CC=C4)Cl)F
InChI
InChI=1S/C20H15ClFN3O3/c21-15-3-1-2-13(16(15)22)10-25-9-8-24-11-14(12-4-6-23-7-5-12)18(26)19(27)17(24)20(25)28/h1-7,11,27H,8-10H2
InChIKey
QUQIMEKNNJKNRS-UHFFFAOYSA-N
Compound name
2-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-7-pyridin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

399.07858 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.08586 193.3
[M+Na]+ 422.06780 204.6
[M-H]- 398.07130 197.7
[M+NH4]+ 417.11240 201.3
[M+K]+ 438.04174 195.9
[M+H-H2O]+ 382.07584 181.0
[M+HCOO]- 444.07678 203.0
[M+CH3COO]- 458.09243 202.0
[M+Na-2H]- 420.05325 194.8
[M]+ 399.07803 194.0
[M]- 399.07913 194.0
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