CID 492594

Chembl285883

Structural Information

Molecular Formula
C17H14BrN3O2
SMILES
COC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C(=NC=C3)Br
InChI
InChI=1S/C17H14BrN3O2/c1-23-15-5-3-2-4-11(15)10-20-17(22)14-7-6-12-13(21-14)8-9-19-16(12)18/h2-9H,10H2,1H3,(H,20,22)
InChIKey
TXFOPQMQGKCQKL-UHFFFAOYSA-N
Compound name
5-bromo-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.02695 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03423 175.9
[M+Na]+ 394.01617 186.3
[M-H]- 370.01967 183.2
[M+NH4]+ 389.06077 189.8
[M+K]+ 409.99011 174.0
[M+H-H2O]+ 354.02421 172.5
[M+HCOO]- 416.02515 194.3
[M+CH3COO]- 430.04080 188.0
[M+Na-2H]- 392.00162 183.5
[M]+ 371.02640 195.9
[M]- 371.02750 195.9
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.