CID 9638026

4-bromo-2-(2-nonanoylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H26BrClN2O3
SMILES
CCCCCCCCC(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C23H26BrClN2O3/c1-2-3-4-5-6-7-8-22(28)27-26-16-18-15-19(24)11-14-21(18)30-23(29)17-9-12-20(25)13-10-17/h9-16H,2-8H2,1H3,(H,27,28)/b26-16+
InChIKey
GJYGRYPCCOHKEQ-WGOQTCKBSA-N
Compound name
[4-bromo-2-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.08154 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.08882 209.7
[M+Na]+ 515.07076 217.3
[M-H]- 491.07426 218.5
[M+NH4]+ 510.11536 221.7
[M+K]+ 531.04470 202.8
[M+H-H2O]+ 475.07880 205.9
[M+HCOO]- 537.07974 226.4
[M+CH3COO]- 551.09539 238.1
[M+Na-2H]- 513.05621 210.0
[M]+ 492.08099 234.2
[M]- 492.08209 234.2
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.