CID 54692263

Schembl4482008

Structural Information

Molecular Formula
C18H18FN3O4
SMILES
CN(C)C(=O)C1=C2CCN(C(=O)C2=C(C(=O)N1)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C18H18FN3O4/c1-21(2)18(26)14-12-7-8-22(9-10-3-5-11(19)6-4-10)17(25)13(12)15(23)16(24)20-14/h3-6,23H,7-9H2,1-2H3,(H,20,24)
InChIKey
DFYOLOOSVLRGFQ-UHFFFAOYSA-N
Compound name
6-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

359.12814 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13542 182.3
[M+Na]+ 382.11736 190.4
[M-H]- 358.12086 185.1
[M+NH4]+ 377.16196 192.4
[M+K]+ 398.09130 185.7
[M+H-H2O]+ 342.12540 172.2
[M+HCOO]- 404.12634 197.1
[M+CH3COO]- 418.14199 218.1
[M+Na-2H]- 380.10281 182.6
[M]+ 359.12759 180.8
[M]- 359.12869 180.8
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.