CID 9669023

4-(2-(cyclohexylcarbonyl)carbohydrazonoyl)phenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C25H30N2O4
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3CCCCC3
InChI
InChI=1S/C25H30N2O4/c1-2-3-17-30-22-15-11-21(12-16-22)25(29)31-23-13-9-19(10-14-23)18-26-27-24(28)20-7-5-4-6-8-20/h9-16,18,20H,2-8,17H2,1H3,(H,27,28)/b26-18+
InChIKey
MFIDRZCEFZUFIX-NLRVBDNBSA-N
Compound name
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.22055 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.227826 203.4
[M+Na]+ 445.209768 203.6
[M-H]- 421.213274 212.1
[M+NH4]+ 440.254373 212.0
[M+K]+ 461.183708 200.1
[M+H-H2O]+ 405.217810 192.0
[M+HCOO]- 467.218751 223.7
[M+CH3COO]- 481.234401 232.3
[M+Na-2H]- 443.195216 202.9
[M]+ 422.22000142 202.4
[M]- 422.22109858 202.4
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.