CID 9635515

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

Structural Information

Molecular Formula
C24H20BrClN2O3
SMILES
C=CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H20BrClN2O3/c1-2-13-30-22-12-9-19(25)14-18(22)15-27-28-24(29)21-5-3-4-6-23(21)31-16-17-7-10-20(26)11-8-17/h2-12,14-15H,1,13,16H2,(H,28,29)/b27-15+
InChIKey
RQERFEZWUGYAEY-JFLMPSFJSA-N
Compound name
N-[(E)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-[(4-chlorophenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.03458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.04186 209.2
[M+Na]+ 521.02380 218.3
[M-H]- 497.02730 221.3
[M+NH4]+ 516.06840 220.6
[M+K]+ 536.99774 203.7
[M+H-H2O]+ 481.03184 204.9
[M+HCOO]- 543.03278 227.6
[M+CH3COO]- 557.04843 238.1
[M+Na-2H]- 519.00925 211.8
[M]+ 498.03403 232.6
[M]- 498.03513 232.6
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.