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]+ 330.20638 181.0
[M+Na]+ 352.18832 185.7
[M-H]- 328.19182 186.2
[M+NH4]+ 347.23292 194.2
[M+K]+ 368.16226 181.7
[M+H-H2O]+ 312.19636 171.7
[M+HCOO]- 374.19730 204.3
[M+CH3COO]- 388.21295 212.6
[M+Na-2H]- 350.17377 183.7
[M]+ 329.19855 185.4
[M]- 329.19965 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.