CID 54692270

Schembl13672777

Structural Information

Molecular Formula
C19H20FN3O4
SMILES
CN1C(=C2CCN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)F)C(=O)N(C)C
InChI
InChI=1S/C19H20FN3O4/c1-21(2)18(26)15-13-8-9-23(10-11-4-6-12(20)7-5-11)17(25)14(13)16(24)19(27)22(15)3/h4-7,24H,8-10H2,1-3H3
InChIKey
UENWXYPISSGVGL-UHFFFAOYSA-N
Compound name
6-[(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

0
References

6
Patents

373.1438 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15108 186.7
[M+Na]+ 396.13302 195.7
[M-H]- 372.13652 191.0
[M+NH4]+ 391.17762 197.2
[M+K]+ 412.10696 191.5
[M+H-H2O]+ 356.14106 176.3
[M+HCOO]- 418.14200 202.5
[M+CH3COO]- 432.15765 224.6
[M+Na-2H]- 394.11847 186.1
[M]+ 373.14325 187.7
[M]- 373.14435 187.7
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