CID 51060327

1-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C34H28N2O5
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)OC)OC4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H28N2O5/c1-23(40-29-19-12-25(13-20-29)24-8-4-3-5-9-24)33(37)36-35-22-31-30-11-7-6-10-26(30)16-21-32(31)41-34(38)27-14-17-28(39-2)18-15-27/h3-23H,1-2H3,(H,36,37)/b35-22+
InChIKey
LGKTXRZMGQNIGD-FADJLKOXSA-N
Compound name
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.1998 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.20708 233.9
[M+Na]+ 567.18902 235.9
[M-H]- 543.19252 246.8
[M+NH4]+ 562.23362 237.4
[M+K]+ 583.16296 231.8
[M+H-H2O]+ 527.19706 219.6
[M+HCOO]- 589.19800 254.3
[M+CH3COO]- 603.21365 256.5
[M+Na-2H]- 565.17447 234.7
[M]+ 544.19925 236.8
[M]- 544.20035 236.8
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.