CID 9611531

4-(2-((5-isopropyl-2-methylphenoxy)ac)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C26H25BrN2O4
SMILES
CC1=C(C=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C26H25BrN2O4/c1-17(2)20-11-8-18(3)24(14-20)32-16-25(30)29-28-15-19-9-12-21(13-10-19)33-26(31)22-6-4-5-7-23(22)27/h4-15,17H,16H2,1-3H3,(H,29,30)/b28-15+
InChIKey
OBDGNGMUOGYIKN-RWPZCVJISA-N
Compound name
[4-[(E)-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.09976 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.10704 208.8
[M+Na]+ 531.08898 212.0
[M+NH4]+ 526.13358 210.9
[M+K]+ 547.06292 210.7
[M-H]- 507.09248 212.9
[M+Na-2H]- 529.07443 213.5
[M]+ 508.09921 209.2
[M]- 508.10031 209.2
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.