CID 51060978

N'-(5-bromo-2-(2-propynyloxy)benzylidene)-4-((4-chlorobenzyl)oxy)benzohydrazide

Structural Information

Molecular Formula
C24H18BrClN2O3
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H18BrClN2O3/c1-2-13-30-23-12-7-20(25)14-19(23)15-27-28-24(29)18-5-10-22(11-6-18)31-16-17-3-8-21(26)9-4-17/h1,3-12,14-15H,13,16H2,(H,28,29)/b27-15+
InChIKey
PKTGAVHLMFSYGK-JFLMPSFJSA-N
Compound name
N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.01892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.02620 206.1
[M+Na]+ 519.00814 211.9
[M+NH4]+ 514.05274 206.8
[M+K]+ 534.98208 205.1
[M-H]- 495.01164 203.8
[M+Na-2H]- 516.99359 208.8
[M]+ 496.01837 204.9
[M]- 496.01947 204.9
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.