CID 51060240

4-bromo-2-(2-((4-butylphenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H25BrN2O4
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H25BrN2O4/c1-2-3-7-19-10-13-23(14-11-19)32-18-25(30)29-28-17-21-16-22(27)12-15-24(21)33-26(31)20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3,(H,29,30)/b28-17+
InChIKey
GEKIVGZMRPXQKY-OGLMXYFKSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.09976 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.10704 214.9
[M+Na]+ 531.08898 220.4
[M-H]- 507.09248 226.3
[M+NH4]+ 526.13358 224.3
[M+K]+ 547.06292 208.5
[M+H-H2O]+ 491.09702 209.1
[M+HCOO]- 553.09796 235.9
[M+CH3COO]- 567.11361 241.4
[M+Na-2H]- 529.07443 216.3
[M]+ 508.09921 236.6
[M]- 508.10031 236.6
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.