CID 45054546

3-bromo-n-(2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C18H16BrN3O2
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C18H16BrN3O2/c19-16-10-4-9-15(12-16)18(24)20-13-17(23)22-21-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,24)(H,22,23)/b8-5+,21-11+
InChIKey
XLZMJUBOCOUGQI-JPDQMXGXSA-N
Compound name
3-bromo-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0426 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.04988 180.9
[M+Na]+ 408.03182 187.5
[M-H]- 384.03532 190.0
[M+NH4]+ 403.07642 195.2
[M+K]+ 424.00576 174.4
[M+H-H2O]+ 368.03986 176.6
[M+HCOO]- 430.04080 204.5
[M+CH3COO]- 444.05645 220.4
[M+Na-2H]- 406.01727 185.9
[M]+ 385.04205 198.1
[M]- 385.04315 198.1
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.