CID 9636691

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

Structural Information

Molecular Formula
C22H25ClN2O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2CCCCC2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25ClN2O3/c1-27-21-13-17(14-24-25-22(26)18-5-3-2-4-6-18)9-12-20(21)28-15-16-7-10-19(23)11-8-16/h7-14,18H,2-6,15H2,1H3,(H,25,26)/b24-14+
InChIKey
DQWDXZUIMNSNSL-ZVHZXABRSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15536 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16264 196.2
[M+Na]+ 423.14458 199.8
[M-H]- 399.14808 205.6
[M+NH4]+ 418.18918 207.3
[M+K]+ 439.11852 194.5
[M+H-H2O]+ 383.15262 186.3
[M+HCOO]- 445.15356 213.8
[M+CH3COO]- 459.16921 226.5
[M+Na-2H]- 421.13003 197.0
[M]+ 400.15481 197.2
[M]- 400.15591 197.2
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.