CID 9633884

3-bromo-n-(2-(2-(4-methylbenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C17H16BrN3O2
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C17H16BrN3O2/c1-12-5-7-13(8-6-12)10-20-21-16(22)11-19-17(23)14-3-2-4-15(18)9-14/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
PTRMNMXFKURLSG-KEBDBYFISA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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 177.8
[M+Na]+ 396.03182 185.3
[M-H]- 372.03532 187.3
[M+NH4]+ 391.07642 192.8
[M+K]+ 412.00576 173.0
[M+H-H2O]+ 356.03986 173.7
[M+HCOO]- 418.04080 201.4
[M+CH3COO]- 432.05645 220.1
[M+Na-2H]- 394.01727 182.5
[M]+ 373.04205 195.7
[M]- 373.04315 195.7
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.