CID 54683373

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-[2-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrazine-1,8-dione

Structural Information

Molecular Formula
C22H14ClF3N2O3
SMILES
C1=CC=C(C(=C1)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl)C(F)(F)F
InChI
InChI=1S/C22H14ClF3N2O3/c23-14-5-3-4-13(10-14)11-28-9-8-27-12-16(19(29)20(30)18(27)21(28)31)15-6-1-2-7-17(15)22(24,25)26/h1-10,12,30H,11H2
InChIKey
YNZAMXQBBUGROF-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-[2-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

446.0645 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.07178 203.4
[M+Na]+ 469.05372 216.2
[M-H]- 445.05722 207.2
[M+NH4]+ 464.09832 211.1
[M+K]+ 485.02766 206.9
[M+H-H2O]+ 429.06176 190.1
[M+HCOO]- 491.06270 212.7
[M+CH3COO]- 505.07835 211.9
[M+Na-2H]- 467.03917 205.4
[M]+ 446.06395 204.6
[M]- 446.06505 204.6
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