CID 51060725

N'-(2-(benzyloxy)-5-bromobenzylidene)-4-((4-chlorobenzyl)oxy)benzohydrazide

Structural Information

Molecular Formula
C28H22BrClN2O3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H22BrClN2O3/c29-24-10-15-27(35-19-20-4-2-1-3-5-20)23(16-24)17-31-32-28(33)22-8-13-26(14-9-22)34-18-21-6-11-25(30)12-7-21/h1-17H,18-19H2,(H,32,33)/b31-17+
InChIKey
AKMJGPMDYYIHKQ-KBVAKVRCSA-N
Compound name
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.05023 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.05751 223.7
[M+Na]+ 571.03945 231.4
[M-H]- 547.04295 238.0
[M+NH4]+ 566.08405 232.4
[M+K]+ 587.01339 217.5
[M+H-H2O]+ 531.04749 218.1
[M+HCOO]- 593.04843 241.4
[M+CH3COO]- 607.06408 245.7
[M+Na-2H]- 569.02490 226.3
[M]+ 548.04968 246.2
[M]- 548.05078 246.2
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.