CID 15958274

Chembl441683

Structural Information

Molecular Formula
C21H22FN5O2
SMILES
CN1CCN(CC1)C2=NC(=C(C3=C2C=CC=N3)O)C(=O)NCC4=CC=C(C=C4)F
InChI
InChI=1S/C21H22FN5O2/c1-26-9-11-27(12-10-26)20-16-3-2-8-23-17(16)19(28)18(25-20)21(29)24-13-14-4-6-15(22)7-5-14/h2-8,28H,9-13H2,1H3,(H,24,29)
InChIKey
LQCQPBUEUDRVLA-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

395.17575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18303 197.5
[M+Na]+ 418.16497 203.6
[M-H]- 394.16847 199.5
[M+NH4]+ 413.20957 202.5
[M+K]+ 434.13891 195.9
[M+H-H2O]+ 378.17301 183.8
[M+HCOO]- 440.17395 208.4
[M+CH3COO]- 454.18960 203.6
[M+Na-2H]- 416.15042 199.2
[M]+ 395.17520 192.5
[M]- 395.17630 192.5
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

patents stripe