CID 45054661

N-(2-(2-benzylidenehydrazino)-2-oxoethyl)-3-bromobenzamide

Structural Information

Molecular Formula
C16H14BrN3O2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C16H14BrN3O2/c17-14-8-4-7-13(9-14)16(22)18-11-15(21)20-19-10-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,22)(H,20,21)/b19-10+
InChIKey
GLJHQWFOLHMBRR-VXLYETTFSA-N
Compound name
N-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]-3-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.02695 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03423 173.1
[M+Na]+ 382.01617 180.1
[M-H]- 358.01967 182.4
[M+NH4]+ 377.06077 188.3
[M+K]+ 397.99011 168.1
[M+H-H2O]+ 342.02421 169.1
[M+HCOO]- 404.02515 197.1
[M+CH3COO]- 418.04080 216.2
[M+Na-2H]- 380.00162 179.1
[M]+ 359.02640 190.4
[M]- 359.02750 190.4
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.