CID 9606101

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

Structural Information

Molecular Formula
C28H21ClN2O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H21ClN2O4/c29-24-13-9-23(10-14-24)28(33)35-26-8-4-5-20(17-26)18-30-31-27(32)19-34-25-15-11-22(12-16-25)21-6-2-1-3-7-21/h1-18H,19H2,(H,31,32)/b30-18+
InChIKey
APCZDMVOSCBSLC-UXHLAJHPSA-N
Compound name
[3-[(E)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.119 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.12628 217.2
[M+Na]+ 507.10822 221.9
[M-H]- 483.11172 230.0
[M+NH4]+ 502.15282 223.9
[M+K]+ 523.08216 215.7
[M+H-H2O]+ 467.11626 204.9
[M+HCOO]- 529.11720 237.1
[M+CH3COO]- 543.13285 240.6
[M+Na-2H]- 505.09367 219.1
[M]+ 484.11845 221.6
[M]- 484.11955 221.6
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.