CID 9610295

4-(2-(phenylacetyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C22H17BrN2O3
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C22H17BrN2O3/c23-20-9-5-4-8-19(20)22(27)28-18-12-10-17(11-13-18)15-24-25-21(26)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,25,26)/b24-15+
InChIKey
KWZGYSPJNNYGNG-BUVRLJJBSA-N
Compound name
[4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.04224 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04952 194.8
[M+Na]+ 459.03146 201.7
[M-H]- 435.03496 206.9
[M+NH4]+ 454.07606 207.0
[M+K]+ 475.00540 189.7
[M+H-H2O]+ 419.03950 190.2
[M+HCOO]- 481.04044 217.2
[M+CH3COO]- 495.05609 227.4
[M+Na-2H]- 457.01691 199.0
[M]+ 436.04169 213.8
[M]- 436.04279 213.8
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.