CID 44151060

N-pentyl-4-(4'-n-decyloxybenzylidineamino)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 227.5
[M+Na]+ 500.31350 228.4
[M-H]- 476.31700 232.5
[M+NH4]+ 495.35810 235.3
[M+K]+ 516.28744 221.9
[M+H-H2O]+ 460.32154 215.9
[M+HCOO]- 522.32248 248.6
[M+CH3COO]- 536.33813 244.6
[M+Na-2H]- 498.29895 224.5
[M]+ 477.32373 235.5
[M]- 477.32483 235.5
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.