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]+ 451.259136 215.3
[M+Na]+ 473.241078 217.0
[M-H]- 449.244584 221.3
[M+NH4]+ 468.285683 223.7
[M+K]+ 489.215018 212.2
[M+H-H2O]+ 433.249120 204.2
[M+HCOO]- 495.250061 238.3
[M+CH3COO]- 509.265711 239.6
[M+Na-2H]- 471.226526 214.0
[M]+ 450.25131142 221.3
[M]- 450.25240858 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.