CID 9657397

3-bromo-n-(2-(2-(3-chlorobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H13BrClN3O2
SMILES
C1=CC(=CC(=C1)Cl)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C16H13BrClN3O2/c17-13-5-2-4-12(8-13)16(23)19-10-15(22)21-20-9-11-3-1-6-14(18)7-11/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
QENOMMQWXQXTKX-AWQFTUOYSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.98798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.99526 179.1
[M+Na]+ 415.97720 181.9
[M+NH4]+ 411.02180 182.5
[M+K]+ 431.95114 180.5
[M-H]- 391.98070 182.2
[M+Na-2H]- 413.96265 183.6
[M]+ 392.98743 179.2
[M]- 392.98853 179.2
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.