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]+ 423.22783 205.2
[M+Na]+ 445.20977 215.2
[M+NH4]+ 440.25437 210.9
[M+K]+ 461.18371 207.4
[M-H]- 421.21327 211.0
[M+Na-2H]- 443.19522 212.2
[M]+ 422.22000 207.9
[M]- 422.22110 207.9
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.