CID 45054564

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

Structural Information

Molecular Formula
C16H13BrFN3O2
SMILES
C1=CC(=CC(=C1)F)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C16H13BrFN3O2/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
BQNZAGGWHDNYED-AWQFTUOYSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.01752 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.02480 177.1
[M+Na]+ 400.00674 185.1
[M-H]- 376.01024 185.5
[M+NH4]+ 395.05134 191.9
[M+K]+ 415.98068 172.6
[M+H-H2O]+ 360.01478 172.3
[M+HCOO]- 422.01572 200.1
[M+CH3COO]- 436.03137 219.8
[M+Na-2H]- 397.99219 181.7
[M]+ 377.01697 193.8
[M]- 377.01807 193.8
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.