CID 60420

M-anisidine, 4-((7-phenoxyheptyl)oxy)-

Structural Information

Molecular Formula
C20H27NO3
SMILES
COC1=C(C=CC(=C1)N)OCCCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C20H27NO3/c1-22-20-16-17(21)12-13-19(20)24-15-9-4-2-3-8-14-23-18-10-6-5-7-11-18/h5-7,10-13,16H,2-4,8-9,14-15,21H2,1H3
InChIKey
WKGPLEUKHRVSIC-UHFFFAOYSA-N
Compound name
3-methoxy-4-(7-phenoxyheptoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 181.0
[M+Na]+ 352.188318 185.7
[M-H]- 328.191824 186.2
[M+NH4]+ 347.232923 194.2
[M+K]+ 368.162258 181.7
[M+H-H2O]+ 312.196360 171.7
[M+HCOO]- 374.197301 204.3
[M+CH3COO]- 388.212951 212.6
[M+Na-2H]- 350.173766 183.7
[M]+ 329.19855142 185.4
[M]- 329.19964858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.