CID 58892

101782-07-4

Structural Information

Molecular Formula
C18H23NO3
SMILES
COC1=C(C=CC(=C1)N)OCCCCC(C2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO3/c1-21-18-13-15(19)10-11-17(18)22-12-6-5-9-16(20)14-7-3-2-4-8-14/h2-4,7-8,10-11,13,16,20H,5-6,9,12,19H2,1H3
InChIKey
YGJGKTNJFAATDH-UHFFFAOYSA-N
Compound name
5-(4-amino-2-methoxyphenoxy)-1-phenylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 172.6
[M+Na]+ 324.157018 177.4
[M-H]- 300.160524 177.0
[M+NH4]+ 319.201623 186.2
[M+K]+ 340.130958 173.7
[M+H-H2O]+ 284.165060 164.2
[M+HCOO]- 346.166001 194.1
[M+CH3COO]- 360.181651 205.1
[M+Na-2H]- 322.142466 174.7
[M]+ 301.16725142 173.9
[M]- 301.16834858 173.9
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.