CID 44629824

6-[2-propyl-4-(4-pyridylazo)phenoxy]hexanoic acid

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CCCC1=C(C=CC(=C1)N=NC2=CC=NC=C2)OCCCCCC(=O)O
InChI
InChI=1S/C20H25N3O3/c1-2-6-16-15-18(23-22-17-10-12-21-13-11-17)8-9-19(16)26-14-5-3-4-7-20(24)25/h8-13,15H,2-7,14H2,1H3,(H,24,25)
InChIKey
RKSDFQDWVOJLAU-UHFFFAOYSA-N
Compound name
6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1896 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 187.5
[M+Na]+ 378.17882 198.9
[M+NH4]+ 373.22342 193.1
[M+K]+ 394.15276 191.1
[M-H]- 354.18232 191.3
[M+Na-2H]- 376.16427 194.6
[M]+ 355.18905 189.9
[M]- 355.19015 189.9
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

No patent data available for this compound.