CID 54692264

Schembl4475043

Structural Information

Molecular Formula
C20H20FN3O4
SMILES
C1CC(C1)NC(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C20H20FN3O4/c21-12-6-4-11(5-7-12)10-24-9-8-14-15(20(24)28)17(25)19(27)23-16(14)18(26)22-13-2-1-3-13/h4-7,13,25H,1-3,8-10H2,(H,22,26)(H,23,27)
InChIKey
ZRZZWVGCFMEEHT-UHFFFAOYSA-N
Compound name
N-cyclobutyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

385.1438 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15108 191.6
[M+Na]+ 408.13302 196.3
[M-H]- 384.13652 194.8
[M+NH4]+ 403.17762 193.0
[M+K]+ 424.10696 193.7
[M+H-H2O]+ 368.14106 174.7
[M+HCOO]- 430.14200 203.0
[M+CH3COO]- 444.15765 221.6
[M+Na-2H]- 406.11847 190.4
[M]+ 385.14325 195.1
[M]- 385.14435 195.1
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

No patent data available for this compound.