CID 54683565

Schembl14129863

Structural Information

Molecular Formula
C22H19ClFN3O3
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=CC=CC=N3)O)CCCC4=C(C=CC=C4Cl)F
InChI
InChI=1S/C22H19ClFN3O3/c23-16-6-3-7-17(24)14(16)5-4-10-26-11-12-27-13-15(18-8-1-2-9-25-18)20(28)21(29)19(27)22(26)30/h1-3,6-9,13,29H,4-5,10-12H2
InChIKey
SYYLNBYOHHMMBX-UHFFFAOYSA-N
Compound name
2-[3-(2-chloro-6-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-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

427.1099 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.11718 202.1
[M+Na]+ 450.09912 212.3
[M-H]- 426.10262 206.0
[M+NH4]+ 445.14372 208.9
[M+K]+ 466.07306 203.3
[M+H-H2O]+ 410.10716 189.3
[M+HCOO]- 472.10810 211.0
[M+CH3COO]- 486.12375 209.8
[M+Na-2H]- 448.08457 202.5
[M]+ 427.10935 203.4
[M]- 427.11045 203.4
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.