CID 9633748

1-(2-(cyclohexylcarbonyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H28N2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4CCCCC4)OC
InChI
InChI=1S/C27H28N2O5/c1-32-24-15-13-20(16-25(24)33-2)27(31)34-23-14-12-18-8-6-7-11-21(18)22(23)17-28-29-26(30)19-9-4-3-5-10-19/h6-8,11-17,19H,3-5,9-10H2,1-2H3,(H,29,30)/b28-17+
InChIKey
XVBLJVBLYWJXGW-OGLMXYFKSA-N
Compound name
[1-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.19983 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.20711 209.9
[M+Na]+ 483.18905 211.8
[M-H]- 459.19255 219.8
[M+NH4]+ 478.23365 217.9
[M+K]+ 499.16299 208.6
[M+H-H2O]+ 443.19709 198.0
[M+HCOO]- 505.19803 229.0
[M+CH3COO]- 519.21368 240.9
[M+Na-2H]- 481.17450 210.3
[M]+ 460.19928 210.3
[M]- 460.20038 210.3
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.