CID 54705331

8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione

Structural Information

Molecular Formula
C17H15F3N2O3
SMILES
CN1C=C2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H15F3N2O3/c1-21-9-11-5-6-22(15(24)13(11)14(23)16(21)25)8-10-3-2-4-12(7-10)17(18,19)20/h2-4,7,9,23H,5-6,8H2,1H3
InChIKey
HACMMQUQXFQREK-UHFFFAOYSA-N
Compound name
8-hydroxy-6-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,6-naphthyridine-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

352.1035 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11078 181.1
[M+Na]+ 375.09272 191.6
[M-H]- 351.09622 181.4
[M+NH4]+ 370.13732 192.1
[M+K]+ 391.06666 185.2
[M+H-H2O]+ 335.10076 169.7
[M+HCOO]- 397.10170 192.9
[M+CH3COO]- 411.11735 212.2
[M+Na-2H]- 373.07817 182.8
[M]+ 352.10295 177.5
[M]- 352.10405 177.5
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