CID 10150134

Chembl246774

Structural Information

Molecular Formula
C18H15FN4O3
SMILES
CNC(=O)C1=C(C=CC(=C1)F)CNC(=O)C2=NC=C3C=CC=NC3=C2O
InChI
InChI=1S/C18H15FN4O3/c1-20-17(25)13-7-12(19)5-4-10(13)8-23-18(26)15-16(24)14-11(9-22-15)3-2-6-21-14/h2-7,9,24H,8H2,1H3,(H,20,25)(H,23,26)
InChIKey
HSARUYWVLWVDPH-UHFFFAOYSA-N
Compound name
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

354.11282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12010 181.1
[M+Na]+ 377.10204 188.5
[M-H]- 353.10554 183.9
[M+NH4]+ 372.14664 190.8
[M+K]+ 393.07598 183.2
[M+H-H2O]+ 337.11008 170.3
[M+HCOO]- 399.11102 199.5
[M+CH3COO]- 413.12667 217.6
[M+Na-2H]- 375.08749 185.4
[M]+ 354.11227 180.1
[M]- 354.11337 180.1
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