CID 44151060

Amyl 4-(4-decyloxybenzylideneamino)cinnamate

Structural Information

Molecular Formula
C31H43NO3
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)/C=C/C(=O)OCCCCC
InChI
InChI=1S/C31H43NO3/c1-3-5-7-8-9-10-11-13-24-34-30-21-16-28(17-22-30)26-32-29-19-14-27(15-20-29)18-23-31(33)35-25-12-6-4-2/h14-23,26H,3-13,24-25H2,1-2H3/b23-18+,32-26?
InChIKey
PFUBZHJBCRGEIV-KYUCAQJXSA-N
Compound name
pentyl (E)-3-[4-[(4-decoxyphenyl)methylideneamino]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.32428 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.33156 227.7
[M+Na]+ 500.31350 238.4
[M+NH4]+ 495.35810 232.5
[M+K]+ 516.28744 227.2
[M-H]- 476.31700 231.4
[M+Na-2H]- 498.29895 232.6
[M]+ 477.32373 230.1
[M]- 477.32483 230.1
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.