CID 45054978

4-bromo-2-(2-(phenoxyacetyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C23H19BrN2O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=CC=CC=C3
InChI
InChI=1S/C23H19BrN2O4/c1-16-7-9-17(10-8-16)23(28)30-21-12-11-19(24)13-18(21)14-25-26-22(27)15-29-20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,26,27)/b25-14+
InChIKey
HQYBAYVTSXZYBP-AFUMVMLFSA-N
Compound name
[4-bromo-2-[(E)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.05283 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06011 197.8
[M+Na]+ 489.04205 201.6
[M+NH4]+ 484.08665 200.5
[M+K]+ 505.01599 200.0
[M-H]- 465.04555 202.2
[M+Na-2H]- 487.02750 203.6
[M]+ 466.05228 198.4
[M]- 466.05338 198.4
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.