CID 15958282

Chembl379658

Structural Information

Molecular Formula
C22H20FN5O4
SMILES
CCN1CCN(C(=O)C1=O)C2=NC(=C(C3=C2C=CC=N3)O)C(=O)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C22H20FN5O4/c1-2-27-10-11-28(22(32)21(27)31)19-15-4-3-9-24-16(15)18(29)17(26-19)20(30)25-12-13-5-7-14(23)8-6-13/h3-9,29H,2,10-12H2,1H3,(H,25,30)
InChIKey
NJLOOHYIZKBYNA-UHFFFAOYSA-N
Compound name
5-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.14993 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15721 207.3
[M+Na]+ 460.13915 214.7
[M-H]- 436.14265 210.0
[M+NH4]+ 455.18375 210.7
[M+K]+ 476.11309 207.5
[M+H-H2O]+ 420.14719 193.7
[M+HCOO]- 482.14813 218.4
[M+CH3COO]- 496.16378 232.4
[M+Na-2H]- 458.12460 207.3
[M]+ 437.14938 204.9
[M]- 437.15048 204.9
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.