CID 54692272

Schembl4473972

Structural Information

Molecular Formula
C21H24FN3O4
SMILES
CCN(CC)C(=O)C1=C2CCN(C(=O)C2=C(C(=O)N1C)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H24FN3O4/c1-4-24(5-2)20(28)17-15-10-11-25(12-13-6-8-14(22)9-7-13)19(27)16(15)18(26)21(29)23(17)3/h6-9,26H,4-5,10-12H2,1-3H3
InChIKey
VUMWXUKZICXYPW-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

401.17508 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18236 195.8
[M+Na]+ 424.16430 203.8
[M-H]- 400.16780 199.6
[M+NH4]+ 419.20890 205.0
[M+K]+ 440.13824 199.3
[M+H-H2O]+ 384.17234 184.9
[M+HCOO]- 446.17328 210.9
[M+CH3COO]- 460.18893 230.4
[M+Na-2H]- 422.14975 194.1
[M]+ 401.17453 197.4
[M]- 401.17563 197.4
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

patents stripe