CID 9650231

4-(2-decanoylcarbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C27H34N2O4
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C27H34N2O4/c1-3-4-5-6-7-8-12-15-26(30)29-28-21-23-16-18-24(25(20-23)32-2)33-27(31)19-17-22-13-10-9-11-14-22/h9-11,13-14,16-21H,3-8,12,15H2,1-2H3,(H,29,30)/b19-17+,28-21+
InChIKey
QKXHLZGWHFTKTB-OADQYJAJSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.25186 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.25914 215.3
[M+Na]+ 473.24108 217.0
[M-H]- 449.24458 221.3
[M+NH4]+ 468.28568 223.7
[M+K]+ 489.21502 212.2
[M+H-H2O]+ 433.24912 204.2
[M+HCOO]- 495.25006 238.3
[M+CH3COO]- 509.26571 239.6
[M+Na-2H]- 471.22653 214.0
[M]+ 450.25131 221.3
[M]- 450.25241 221.3
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.