CID 9590366

4-(2-(((1,1'-biphenyl)-4-yloxy)acetyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C28H21BrN2O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C28H21BrN2O4/c29-24-8-4-7-23(17-24)28(33)35-26-13-9-20(10-14-26)18-30-31-27(32)19-34-25-15-11-22(12-16-25)21-5-2-1-3-6-21/h1-18H,19H2,(H,31,32)/b30-18+
InChIKey
ZJBBMDKZXIRIAQ-UXHLAJHPSA-N
Compound name
[4-[(E)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.0685 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.07578 219.2
[M+Na]+ 551.05772 224.6
[M-H]- 527.06122 233.4
[M+NH4]+ 546.10232 227.0
[M+K]+ 567.03166 213.0
[M+H-H2O]+ 511.06576 212.9
[M+HCOO]- 573.06670 240.4
[M+CH3COO]- 587.08235 243.2
[M+Na-2H]- 549.04317 221.9
[M]+ 528.06795 238.6
[M]- 528.06905 238.6
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.