CID 9571165

N-[(e)-(1-bromo-2-naphthyl)methyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C17H12BrN3O
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H12BrN3O/c18-16-14(6-5-12-3-1-2-4-15(12)16)11-20-21-17(22)13-7-9-19-10-8-13/h1-11H,(H,21,22)/b20-11+
InChIKey
PNKIARINWALJHP-RGVLZGJSSA-N
Compound name
N-[(E)-(1-bromonaphthalen-2-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.01636 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02364 171.3
[M+Na]+ 376.00558 181.0
[M-H]- 352.00908 180.8
[M+NH4]+ 371.05018 187.3
[M+K]+ 391.97952 168.3
[M+H-H2O]+ 336.01362 167.9
[M+HCOO]- 398.01456 193.4
[M+CH3COO]- 412.03021 184.1
[M+Na-2H]- 373.99103 180.3
[M]+ 353.01581 189.5
[M]- 353.01691 189.5
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.