CID 11416795

89823-23-4

Structural Information

Molecular Formula
C22H23NO3
SMILES
C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C22H23NO3/c1-2-22(24)26-16-6-4-3-5-15-25-21-13-11-20(12-14-21)19-9-7-18(17-23)8-10-19/h2,7-14H,1,3-6,15-16H2
InChIKey
IGHSOWSFSFGPAZ-UHFFFAOYSA-N
Compound name
6-[4-(4-cyanophenyl)phenoxy]hexyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

349.1678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 185.7
[M+Na]+ 372.15702 198.0
[M+NH4]+ 367.20162 188.8
[M+K]+ 388.13096 186.3
[M-H]- 348.16052 181.5
[M+Na-2H]- 370.14247 189.6
[M]+ 349.16725 185.4
[M]- 349.16835 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe