CID 27231

15382-76-0

Structural Information

Molecular Formula
C19H25NO2
SMILES
COC1=C(C=CC(=C1)N)OCCCCCCC2=CC=CC=C2
InChI
InChI=1S/C19H25NO2/c1-21-19-15-17(20)12-13-18(19)22-14-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-13,15H,2-3,5,8-9,14,20H2,1H3
InChIKey
GLLNXISZVSYJPK-UHFFFAOYSA-N
Compound name
3-methoxy-4-(6-phenylhexoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.195816 173.5
[M+Na]+ 322.177758 178.8
[M-H]- 298.181264 179.0
[M+NH4]+ 317.222363 188.1
[M+K]+ 338.151698 174.4
[M+H-H2O]+ 282.185800 164.8
[M+HCOO]- 344.186741 197.0
[M+CH3COO]- 358.202391 207.6
[M+Na-2H]- 320.163206 176.7
[M]+ 299.18799142 176.2
[M]- 299.18908858 176.2
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.