CID 5332577

N'-(4-bromobenzylidene)isonicotinohydrazide

Structural Information

Molecular Formula
C13H10BrN3O
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)Br
InChI
InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
InChIKey
WJDGJNGJDIMLRB-CXUHLZMHSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

303.00073 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.00801 157.0
[M+Na]+ 325.98995 166.6
[M-H]- 301.99345 165.8
[M+NH4]+ 321.03455 174.0
[M+K]+ 341.96389 154.6
[M+H-H2O]+ 285.99799 154.0
[M+HCOO]- 347.99893 180.7
[M+CH3COO]- 362.01458 204.0
[M+Na-2H]- 323.97540 165.8
[M]+ 303.00018 174.8
[M]- 303.00128 174.8
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