CID 45054893

2-(4-(benzyloxy)phenoxy)-n'-(4-((4-chlorobenzyl)oxy)benzylidene)propanohydrazide

Structural Information

Molecular Formula
C30H27ClN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C30H27ClN2O4/c1-22(37-29-17-15-28(16-18-29)35-20-24-5-3-2-4-6-24)30(34)33-32-19-23-9-13-27(14-10-23)36-21-25-7-11-26(31)12-8-25/h2-19,22H,20-21H2,1H3,(H,33,34)/b32-19+
InChIKey
JKSFLYKHZRGKSR-BIZUNTBRSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.16595 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.17323 226.1
[M+Na]+ 537.15517 229.5
[M-H]- 513.15867 238.4
[M+NH4]+ 532.19977 231.5
[M+K]+ 553.12911 223.5
[M+H-H2O]+ 497.16321 213.3
[M+HCOO]- 559.16415 245.1
[M+CH3COO]- 573.17980 247.4
[M+Na-2H]- 535.14062 227.0
[M]+ 514.16540 231.9
[M]- 514.16650 231.9
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.