CID 9688135

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

Structural Information

Molecular Formula
C29H38N2O4
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C29H38N2O4/c1-3-4-5-6-7-8-9-10-14-17-28(32)31-30-23-25-18-20-26(27(22-25)34-2)35-29(33)21-19-24-15-12-11-13-16-24/h11-13,15-16,18-23H,3-10,14,17H2,1-2H3,(H,31,32)/b21-19+,30-23+
InChIKey
ALNAAJNEOHLKRE-JASWRBLTSA-N
Compound name
[4-[(E)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.28317 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.290446 224.1
[M+Na]+ 501.272388 224.8
[M-H]- 477.275894 229.6
[M+NH4]+ 496.316993 231.2
[M+K]+ 517.246328 219.6
[M+H-H2O]+ 461.280430 212.6
[M+HCOO]- 523.281371 246.3
[M+CH3COO]- 537.297021 245.4
[M+Na-2H]- 499.257836 221.7
[M]+ 478.28262142 230.7
[M]- 478.28371858 230.7
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.