CID 9949740

191228-04-3

Structural Information

Molecular Formula
C20H22N2O3
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCC(=O)NO
InChI
InChI=1S/C20H22N2O3/c21-15-16-6-8-17(9-7-16)18-10-12-19(13-11-18)25-14-4-2-1-3-5-20(23)22-24/h6-13,24H,1-5,14H2,(H,22,23)
InChIKey
DWIYBCKFYUQVLU-UHFFFAOYSA-N
Compound name
7-[4-(4-cyanophenyl)phenoxy]-N-hydroxyheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

200
Patents

338.16306 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 184.2
[M+Na]+ 361.15228 195.2
[M+NH4]+ 356.19688 187.0
[M+K]+ 377.12622 184.5
[M-H]- 337.15578 180.1
[M+Na-2H]- 359.13773 187.7
[M]+ 338.16251 183.6
[M]- 338.16361 183.6
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