CID 45055071

3-bromo-n-(2-oxo-2-(2-(4-pyridinylmethylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C15H13BrN4O2
SMILES
C1=CC(=CC(=C1)Br)C(=O)NCC(=O)N/N=C/C2=CC=NC=C2
InChI
InChI=1S/C15H13BrN4O2/c16-13-3-1-2-12(8-13)15(22)18-10-14(21)20-19-9-11-4-6-17-7-5-11/h1-9H,10H2,(H,18,22)(H,20,21)/b19-9+
InChIKey
GLCGGJKWBVTTQF-DJKKODMXSA-N
Compound name
3-bromo-N-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.0222 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.02948 170.5
[M+Na]+ 383.01142 178.0
[M-H]- 359.01492 178.8
[M+NH4]+ 378.05602 184.5
[M+K]+ 398.98536 165.9
[M+H-H2O]+ 343.01946 166.1
[M+HCOO]- 405.02040 193.8
[M+CH3COO]- 419.03605 215.9
[M+Na-2H]- 380.99687 177.6
[M]+ 360.02165 188.1
[M]- 360.02275 188.1
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.