CID 6026246

N'-(4-(benzyloxy)benzylidene)-2-(4-bromophenoxy)propanohydrazide

Structural Information

Molecular Formula
C23H21BrN2O3
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OCC2=CC=CC=C2)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H21BrN2O3/c1-17(29-22-13-9-20(24)10-14-22)23(27)26-25-15-18-7-11-21(12-8-18)28-16-19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,26,27)/b25-15+
InChIKey
KCPBMPSBMDIHST-MFKUBSTISA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.07355 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.08083 200.2
[M+Na]+ 475.06277 206.3
[M-H]- 451.06627 212.0
[M+NH4]+ 470.10737 211.8
[M+K]+ 491.03671 194.7
[M+H-H2O]+ 435.07081 195.3
[M+HCOO]- 497.07175 222.1
[M+CH3COO]- 511.08740 231.3
[M+Na-2H]- 473.04822 203.9
[M]+ 452.07300 220.2
[M]- 452.07410 220.2
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.