CID 51060841

N'-(2-(benzyloxy)-5-bromobenzylidene)-2-(2,3-dichlorophenoxy)acetohydrazide

Structural Information

Molecular Formula
C22H17BrCl2N2O3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C22H17BrCl2N2O3/c23-17-9-10-19(29-13-15-5-2-1-3-6-15)16(11-17)12-26-27-21(28)14-30-20-8-4-7-18(24)22(20)25/h1-12H,13-14H2,(H,27,28)/b26-12+
InChIKey
PAUPCKWJBRPYCQ-RPPGKUMJSA-N
Compound name
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.97995 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.98723 205.4
[M+Na]+ 528.96917 215.8
[M-H]- 504.97267 217.2
[M+NH4]+ 524.01377 217.3
[M+K]+ 544.94311 201.2
[M+H-H2O]+ 488.97721 202.2
[M+HCOO]- 550.97815 219.6
[M+CH3COO]- 564.99380 236.7
[M+Na-2H]- 526.95462 208.5
[M]+ 505.97940 230.2
[M]- 505.98050 230.2
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.