CID 112460

P-pentylphenyl p-cyanocinnamate

Structural Information

Molecular Formula
C21H21NO2
SMILES
CCCCCC1=CC=C(C=C1)OC(=O)C=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C21H21NO2/c1-2-3-4-5-17-10-13-20(14-11-17)24-21(23)15-12-18-6-8-19(16-22)9-7-18/h6-15H,2-5H2,1H3
InChIKey
ZPALCVHFGUSKFL-UHFFFAOYSA-N
Compound name
(4-pentylphenyl) 3-(4-cyanophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 179.1
[M+Na]+ 342.14645 192.1
[M+NH4]+ 337.19105 182.9
[M+K]+ 358.12039 180.2
[M-H]- 318.14995 175.5
[M+Na-2H]- 340.13190 183.7
[M]+ 319.15668 179.1
[M]- 319.15778 179.1
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.