CID 54692266

Schembl4492134

Structural Information

Molecular Formula
C19H20FN3O4
SMILES
CC(C)NC(=O)C1=C2CCN(C(=O)C2=C(C(=O)N1)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H20FN3O4/c1-10(2)21-17(25)15-13-7-8-23(9-11-3-5-12(20)6-4-11)19(27)14(13)16(24)18(26)22-15/h3-6,10,24H,7-9H2,1-2H3,(H,21,25)(H,22,26)
InChIKey
OKSOHSHPAFHKMA-UHFFFAOYSA-N
Compound name
6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-N-propan-2-yl-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

373.1438 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15108 187.1
[M+Na]+ 396.13302 194.3
[M-H]- 372.13652 188.3
[M+NH4]+ 391.17762 195.9
[M+K]+ 412.10696 188.6
[M+H-H2O]+ 356.14106 177.1
[M+HCOO]- 418.14200 200.0
[M+CH3COO]- 432.15765 218.9
[M+Na-2H]- 394.11847 186.4
[M]+ 373.14325 184.2
[M]- 373.14435 184.2
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