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]+ 479.29045 224.1
[M+Na]+ 501.27239 224.8
[M-H]- 477.27589 229.6
[M+NH4]+ 496.31699 231.2
[M+K]+ 517.24633 219.6
[M+H-H2O]+ 461.28043 212.6
[M+HCOO]- 523.28137 246.3
[M+CH3COO]- 537.29702 245.4
[M+Na-2H]- 499.25784 221.7
[M]+ 478.28262 230.7
[M]- 478.28372 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.