CID 45054335

2-(4-bromophenoxy)-n'-(4-((4-chlorobenzyl)oxy)benzylidene)acetohydrazide

Structural Information

Molecular Formula
C22H18BrClN2O3
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C22H18BrClN2O3/c23-18-5-11-21(12-6-18)29-15-22(27)26-25-13-16-3-9-20(10-4-16)28-14-17-1-7-19(24)8-2-17/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKey
OZHIRGWGECZRRK-DHRITJCHSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.01892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.02620 201.1
[M+Na]+ 495.00814 210.0
[M-H]- 471.01164 213.3
[M+NH4]+ 490.05274 213.3
[M+K]+ 510.98208 196.3
[M+H-H2O]+ 455.01618 197.1
[M+HCOO]- 517.01712 220.0
[M+CH3COO]- 531.03277 232.1
[M+Na-2H]- 492.99359 205.4
[M]+ 472.01837 224.2
[M]- 472.01947 224.2
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.