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

377
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 184.4
[M+Na]+ 361.15228 191.2
[M-H]- 337.15578 187.7
[M+NH4]+ 356.19688 195.2
[M+K]+ 377.12622 185.2
[M+H-H2O]+ 321.16032 169.4
[M+HCOO]- 383.16126 202.4
[M+CH3COO]- 397.17691 220.6
[M+Na-2H]- 359.13773 185.8
[M]+ 338.16251 180.9
[M]- 338.16361 180.9
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.