CID 9627411

4-bromo-2-(2-(phenylacetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C22H16BrClN2O3
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H16BrClN2O3/c23-17-10-11-20(29-22(28)18-8-4-5-9-19(18)24)16(13-17)14-25-26-21(27)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,26,27)/b25-14+
InChIKey
ZWLSXZQEONSMSH-AFUMVMLFSA-N
Compound name
[4-bromo-2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.00327 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.01055 200.5
[M+Na]+ 492.99249 209.4
[M-H]- 468.99599 212.8
[M+NH4]+ 488.03709 212.7
[M+K]+ 508.96643 195.7
[M+H-H2O]+ 453.00053 196.7
[M+HCOO]- 515.00147 218.7
[M+CH3COO]- 529.01712 231.7
[M+Na-2H]- 490.97794 203.7
[M]+ 470.00272 222.4
[M]- 470.00382 222.4
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.