CID 135533118

92160-05-9

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 166.9
[M+Na]+ 371.99542 176.8
[M-H]- 347.99892 174.9
[M+NH4]+ 367.04002 181.7
[M+K]+ 387.96936 165.0
[M+H-H2O]+ 332.00346 163.5
[M+HCOO]- 394.00440 189.1
[M+CH3COO]- 408.02005 210.8
[M+Na-2H]- 369.98087 173.4
[M]+ 349.00565 186.6
[M]- 349.00675 186.6
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.