CID 9670593

N'-(4-(benzyloxy)-3-methoxybenzylidene)-2-(4-bromophenoxy)propanohydrazide

Structural Information

Molecular Formula
C24H23BrN2O4
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H23BrN2O4/c1-17(31-21-11-9-20(25)10-12-21)24(28)27-26-15-19-8-13-22(23(14-19)29-2)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)/b26-15+
InChIKey
YIBFKJKGIAFWQG-CVKSISIWSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.0841 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.09138 207.1
[M+Na]+ 505.07332 213.2
[M-H]- 481.07682 218.9
[M+NH4]+ 500.11792 217.5
[M+K]+ 521.04726 202.2
[M+H-H2O]+ 465.08136 201.6
[M+HCOO]- 527.08230 228.6
[M+CH3COO]- 541.09795 237.2
[M+Na-2H]- 503.05877 209.6
[M]+ 482.08355 228.9
[M]- 482.08465 228.9
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.