CID 51060248

2-((1,1'-biphenyl)-4-yloxy)-n'-(4-((4-chlorobenzyl)oxy)-3-ethoxybenzylidene)propanohydrazide

Structural Information

Molecular Formula
C31H29ClN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C31H29ClN2O4/c1-3-36-30-19-24(11-18-29(30)37-21-23-9-14-27(32)15-10-23)20-33-34-31(35)22(2)38-28-16-12-26(13-17-28)25-7-5-4-6-8-25/h4-20,22H,3,21H2,1-2H3,(H,34,35)/b33-20+
InChIKey
CXHHIEXPFWJQSJ-FMFFXOCNSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-phenylphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1816 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.18888 231.2
[M+Na]+ 551.17082 235.0
[M-H]- 527.17432 243.7
[M+NH4]+ 546.21542 236.3
[M+K]+ 567.14476 229.0
[M+H-H2O]+ 511.17886 218.3
[M+HCOO]- 573.17980 249.8
[M+CH3COO]- 587.19545 251.5
[M+Na-2H]- 549.15627 230.8
[M]+ 528.18105 237.7
[M]- 528.18215 237.7
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.