CID 9635515

764653-09-0

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]+ 499.041856 209.2
[M+Na]+ 521.023798 218.3
[M-H]- 497.027304 221.3
[M+NH4]+ 516.068403 220.6
[M+K]+ 536.997738 203.7
[M+H-H2O]+ 481.031840 204.9
[M+HCOO]- 543.032781 227.6
[M+CH3COO]- 557.048431 238.1
[M+Na-2H]- 519.009246 211.8
[M]+ 498.03403142 232.6
[M]- 498.03512858 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.