CID 54692271

2,6-naphthyridine-1-carboxamide, 6-[(3-chloro-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-4-hydroxy-n,n,2-trimethyl-3,5-dioxo-

Structural Information

Molecular Formula
C19H19ClFN3O4
SMILES
CN1C(=C2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=C(C=C3)F)Cl)C(=O)N(C)C
InChI
InChI=1S/C19H19ClFN3O4/c1-22(2)18(27)15-11-6-7-24(9-10-4-5-13(21)12(20)8-10)17(26)14(11)16(25)19(28)23(15)3/h4-5,8,25H,6-7,9H2,1-3H3
InChIKey
FFDVONMXYFIBBI-UHFFFAOYSA-N
Compound name
6-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

407.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11208 191.7
[M+Na]+ 430.09402 202.3
[M-H]- 406.09752 196.2
[M+NH4]+ 425.13862 202.1
[M+K]+ 446.06796 196.9
[M+H-H2O]+ 390.10206 182.3
[M+HCOO]- 452.10300 203.1
[M+CH3COO]- 466.11865 229.4
[M+Na-2H]- 428.07947 190.1
[M]+ 407.10425 195.6
[M]- 407.10535 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe