CID 45054772

4-(2-((4-butoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C26H25BrN2O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C26H25BrN2O5/c1-2-3-16-32-20-12-14-21(15-13-20)33-18-25(30)29-28-17-19-8-10-22(11-9-19)34-26(31)23-6-4-5-7-24(23)27/h4-15,17H,2-3,16,18H2,1H3,(H,29,30)/b28-17+
InChIKey
ZETQVSHMSQIEJM-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.09467 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.10195 216.7
[M+Na]+ 547.08389 221.9
[M-H]- 523.08739 228.1
[M+NH4]+ 542.12849 225.3
[M+K]+ 563.05783 210.8
[M+H-H2O]+ 507.09193 210.6
[M+HCOO]- 569.09287 237.9
[M+CH3COO]- 583.10852 243.3
[M+Na-2H]- 545.06934 218.4
[M]+ 524.09412 239.6
[M]- 524.09522 239.6
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.