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 210.8
[M+Na]+ 519.00814 222.8
[M-H]- 495.01164 218.3
[M+NH4]+ 514.05274 220.5
[M+K]+ 534.98208 206.1
[M+H-H2O]+ 479.01618 200.9
[M+HCOO]- 541.01712 225.6
[M+CH3COO]- 555.03277 239.3
[M+Na-2H]- 516.99359 211.5
[M]+ 496.01837 226.1
[M]- 496.01947 226.1
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.