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 203.4
[M+Na]+ 445.20977 203.6
[M-H]- 421.21327 212.1
[M+NH4]+ 440.25437 212.0
[M+K]+ 461.18371 200.1
[M+H-H2O]+ 405.21781 192.0
[M+HCOO]- 467.21875 223.7
[M+CH3COO]- 481.23440 232.3
[M+Na-2H]- 443.19522 202.9
[M]+ 422.22000 202.4
[M]- 422.22110 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.