CID 15958275

Chembl379132

Structural Information

Molecular Formula
C22H24FN5O3
SMILES
CC(=O)N(C)CCN(C)C1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C22H24FN5O3/c1-14(29)27(2)11-12-28(3)21-17-5-4-10-24-18(17)20(30)19(26-21)22(31)25-13-15-6-8-16(23)9-7-15/h4-10,30H,11-13H2,1-3H3,(H,25,31)
InChIKey
UFMLZMGXQKBRGT-UHFFFAOYSA-N
Compound name
5-[2-[acetyl(methyl)amino]ethyl-methylamino]-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

425.1863 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19358 202.1
[M+Na]+ 448.17552 206.9
[M-H]- 424.17902 206.9
[M+NH4]+ 443.22012 209.6
[M+K]+ 464.14946 203.9
[M+H-H2O]+ 408.18356 190.0
[M+HCOO]- 470.18450 221.1
[M+CH3COO]- 484.20015 240.9
[M+Na-2H]- 446.16097 203.7
[M]+ 425.18575 204.2
[M]- 425.18685 204.2
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.