CID 9680677

477733-64-5

Structural Information

Molecular Formula
C22H24N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2CCCCC2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O4/c1-27-20-14-16(15-23-24-21(25)17-8-4-2-5-9-17)12-13-19(20)28-22(26)18-10-6-3-7-11-18/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3,(H,24,25)/b23-15+
InChIKey
PCLAEZLUEDDLGE-HZHRSRAPSA-N
Compound name
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.180876 190.2
[M+Na]+ 403.162818 191.9
[M-H]- 379.166324 199.6
[M+NH4]+ 398.207423 200.7
[M+K]+ 419.136758 189.0
[M+H-H2O]+ 363.170860 179.5
[M+HCOO]- 425.171801 211.7
[M+CH3COO]- 439.187451 223.6
[M+Na-2H]- 401.148266 191.3
[M]+ 380.17305142 188.3
[M]- 380.17414858 188.3
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.