CID 51060193

4-(2-(2-(4-bromophenoxy)propanoyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C24H21BrN2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H21BrN2O4/c1-16-4-3-5-19(14-16)24(29)31-22-10-6-18(7-11-22)15-26-27-23(28)17(2)30-21-12-8-20(25)9-13-21/h3-15,17H,1-2H3,(H,27,28)/b26-15+
InChIKey
XFLUISUZVMFUAV-CVKSISIWSA-N
Compound name
[4-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.06848 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.07576 206.3
[M+Na]+ 503.05770 212.5
[M-H]- 479.06120 218.3
[M+NH4]+ 498.10230 216.7
[M+K]+ 519.03164 201.5
[M+H-H2O]+ 463.06574 201.1
[M+HCOO]- 525.06668 227.1
[M+CH3COO]- 539.08233 236.8
[M+Na-2H]- 501.04315 207.7
[M]+ 480.06793 226.9
[M]- 480.06903 226.9
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.