CID 9633098

N'-(4-((4-chlorobenzyl)oxy)-3-ethoxybenzylidene)cyclohexanecarbohydrazide

Structural Information

Molecular Formula
C23H27ClN2O3
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2CCCCC2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H27ClN2O3/c1-2-28-22-14-18(15-25-26-23(27)19-6-4-3-5-7-19)10-13-21(22)29-16-17-8-11-20(24)12-9-17/h8-15,19H,2-7,16H2,1H3,(H,26,27)/b25-15+
InChIKey
WPTXKZJXKCANEG-MFKUBSTISA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.17102 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17830 200.6
[M+Na]+ 437.16024 203.8
[M-H]- 413.16374 209.8
[M+NH4]+ 432.20484 211.1
[M+K]+ 453.13418 198.3
[M+H-H2O]+ 397.16828 190.4
[M+HCOO]- 459.16922 217.8
[M+CH3COO]- 473.18487 229.5
[M+Na-2H]- 435.14569 200.8
[M]+ 414.17047 201.9
[M]- 414.17157 201.9
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.