CID 135533118

Chembl3394898

Structural Information

Molecular Formula
C14H12BrN3O3
SMILES
COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)Br)O
InChI
InChI=1S/C14H12BrN3O3/c1-21-12-7-9(6-11(15)13(12)19)8-17-18-14(20)10-2-4-16-5-3-10/h2-8,19H,1H3,(H,18,20)/b17-8+
InChIKey
JEWQUKKWIYZFPE-CAOOACKPSA-N
Compound name
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.0062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.01348 169.4
[M+Na]+ 371.99542 172.3
[M+NH4]+ 367.04002 172.1
[M+K]+ 387.96936 172.4
[M-H]- 347.99892 171.2
[M+Na-2H]- 369.98087 173.5
[M]+ 349.00565 168.9
[M]- 349.00675 168.9
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.