CID 9629551

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

Structural Information

Molecular Formula
C28H22N2O4
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
InChI
InChI=1S/C28H22N2O4/c31-27(20-33-25-17-13-23(14-18-25)22-7-3-1-4-8-22)30-29-19-21-11-15-26(16-12-21)34-28(32)24-9-5-2-6-10-24/h1-19H,20H2,(H,30,31)/b29-19+
InChIKey
HNEUPRSHTRZVBQ-VUTHCHCSSA-N
Compound name
[4-[(E)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.15796 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.16524 209.6
[M+Na]+ 473.14718 212.4
[M-H]- 449.15068 222.1
[M+NH4]+ 468.19178 216.3
[M+K]+ 489.12112 207.6
[M+H-H2O]+ 433.15522 196.6
[M+HCOO]- 495.15616 233.9
[M+CH3COO]- 509.17181 236.1
[M+Na-2H]- 471.13263 212.6
[M]+ 450.15741 210.6
[M]- 450.15851 210.6
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.