CID 15958273

Chembl209872

Structural Information

Molecular Formula
C22H22FN5O3
SMILES
CC(=O)N1CCN(CC1)C2=NC(=C(C3=C2C=CC=N3)O)C(=O)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C22H22FN5O3/c1-14(29)27-9-11-28(12-10-27)21-17-3-2-8-24-18(17)20(30)19(26-21)22(31)25-13-15-4-6-16(23)7-5-15/h2-8,30H,9-13H2,1H3,(H,25,31)
InChIKey
LQFBBQGGUZWVSL-UHFFFAOYSA-N
Compound name
5-(4-acetylpiperazin-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

423.17065 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.17793 202.9
[M+Na]+ 446.15987 208.3
[M-H]- 422.16337 205.0
[M+NH4]+ 441.20447 206.5
[M+K]+ 462.13381 201.4
[M+H-H2O]+ 406.16791 189.3
[M+HCOO]- 468.16885 212.8
[M+CH3COO]- 482.18450 208.5
[M+Na-2H]- 444.14532 203.4
[M]+ 423.17010 198.4
[M]- 423.17120 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.