CID 9687664

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

Structural Information

Molecular Formula
C22H18BrClN2O3
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18BrClN2O3/c1-28-21-11-6-18(23)12-17(21)13-25-26-22(27)16-4-9-20(10-5-16)29-14-15-2-7-19(24)8-3-15/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKey
BETKJWQOLVCMMK-DHRITJCHSA-N
Compound name
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.01892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.02620 201.5
[M+Na]+ 495.00814 211.1
[M-H]- 471.01164 214.0
[M+NH4]+ 490.05274 214.0
[M+K]+ 510.98208 197.6
[M+H-H2O]+ 455.01618 197.5
[M+HCOO]- 517.01712 220.3
[M+CH3COO]- 531.03277 233.3
[M+Na-2H]- 492.99359 205.0
[M]+ 472.01837 224.9
[M]- 472.01947 225.0
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.