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]+ 302.17508 172.6
[M+Na]+ 324.15702 177.4
[M-H]- 300.16052 177.0
[M+NH4]+ 319.20162 186.2
[M+K]+ 340.13096 173.7
[M+H-H2O]+ 284.16506 164.2
[M+HCOO]- 346.16600 194.1
[M+CH3COO]- 360.18165 205.1
[M+Na-2H]- 322.14247 174.7
[M]+ 301.16725 173.9
[M]- 301.16835 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.