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 186.3
[M+Na]+ 378.17882 190.7
[M-H]- 354.18232 192.0
[M+NH4]+ 373.22342 197.4
[M+K]+ 394.15276 187.1
[M+H-H2O]+ 338.18686 175.5
[M+HCOO]- 400.18780 210.8
[M+CH3COO]- 414.20345 222.1
[M+Na-2H]- 376.16427 190.0
[M]+ 355.18905 191.2
[M]- 355.19015 191.2
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