CID 51060239

2-(4-br-phenoxy)-n'-(4-((4-chlorobenzyl)oxy)-3-ethoxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C24H22BrClN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H22BrClN2O4/c1-2-30-23-13-18(5-12-22(23)32-15-17-3-8-20(26)9-4-17)14-27-28-24(29)16-31-21-10-6-19(25)7-11-21/h3-14H,2,15-16H2,1H3,(H,28,29)/b27-14+
InChIKey
VFXGCPFPVMLFEQ-MZJWZYIUSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.04517 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.05245 212.2
[M+Na]+ 539.03439 220.6
[M-H]- 515.03789 224.3
[M+NH4]+ 534.07899 222.8
[M+K]+ 555.00833 207.5
[M+H-H2O]+ 499.04243 207.5
[M+HCOO]- 561.04337 230.5
[M+CH3COO]- 575.05902 240.7
[M+Na-2H]- 537.01984 214.9
[M]+ 516.04462 237.5
[M]- 516.04572 237.5
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.