CID 9608238

4-(2-decanoylcarbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H30N2O3/c1-2-3-4-5-6-7-11-14-23(27)26-25-19-20-15-17-22(18-16-20)29-24(28)21-12-9-8-10-13-21/h8-10,12-13,15-19H,2-7,11,14H2,1H3,(H,26,27)/b25-19+
InChIKey
WQCHJCDLOWCWLA-NCELDCMTSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 200.3
[M+Na]+ 417.21487 202.2
[M-H]- 393.21837 206.4
[M+NH4]+ 412.25947 210.8
[M+K]+ 433.18881 197.9
[M+H-H2O]+ 377.22291 189.7
[M+HCOO]- 439.22385 223.9
[M+CH3COO]- 453.23950 228.8
[M+Na-2H]- 415.20032 201.1
[M]+ 394.22510 204.2
[M]- 394.22620 204.2
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.