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]+ 381.18088 190.2
[M+Na]+ 403.16282 191.9
[M-H]- 379.16632 199.6
[M+NH4]+ 398.20742 200.7
[M+K]+ 419.13676 189.0
[M+H-H2O]+ 363.17086 179.5
[M+HCOO]- 425.17180 211.7
[M+CH3COO]- 439.18745 223.6
[M+Na-2H]- 401.14827 191.3
[M]+ 380.17305 188.3
[M]- 380.17415 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.