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]+ 386.049876 180.9
[M+Na]+ 408.031818 187.5
[M-H]- 384.035324 190.0
[M+NH4]+ 403.076423 195.2
[M+K]+ 424.005758 174.4
[M+H-H2O]+ 368.039860 176.6
[M+HCOO]- 430.040801 204.5
[M+CH3COO]- 444.056451 220.4
[M+Na-2H]- 406.017266 185.9
[M]+ 385.04205142 198.1
[M]- 385.04314858 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.