CID 51060440

1-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C35H30N2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)OC)OC)OC4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C35H30N2O6/c1-23(42-28-17-13-25(14-18-28)24-9-5-4-6-10-24)34(38)37-36-22-30-29-12-8-7-11-26(29)15-19-31(30)43-35(39)27-16-20-32(40-2)33(21-27)41-3/h4-23H,1-3H3,(H,37,38)/b36-22+
InChIKey
HNQXKLBGBAYBJM-HPNXWYHWSA-N
Compound name
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.2104 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.21768 241.3
[M+Na]+ 597.19962 243.2
[M-H]- 573.20312 254.3
[M+NH4]+ 592.24422 243.6
[M+K]+ 613.17356 240.2
[M+H-H2O]+ 557.20766 226.6
[M+HCOO]- 619.20860 261.3
[M+CH3COO]- 633.22425 262.7
[M+Na-2H]- 595.18507 241.0
[M]+ 574.20985 246.1
[M]- 574.21095 246.1
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.