CID 45054663

N-(2-(2-(3-bromobenzylidene)hydrazino)-2-oxoethyl)-4-methylbenzamide

Structural Information

Molecular Formula
C17H16BrN3O2
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)Br
InChI
InChI=1S/C17H16BrN3O2/c1-12-5-7-14(8-6-12)17(23)19-11-16(22)21-20-10-13-3-2-4-15(18)9-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
IPRLMPGGTXAAJN-KEBDBYFISA-N
Compound name
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0426 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04988 176.7
[M+Na]+ 396.03182 178.5
[M+NH4]+ 391.07642 179.8
[M+K]+ 412.00576 177.8
[M-H]- 372.03532 179.7
[M+Na-2H]- 394.01727 181.0
[M]+ 373.04205 176.4
[M]- 373.04315 176.4
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.