CID 215821

36391-23-8

Structural Information

Molecular Formula
C21H23NO2
SMILES
C1=CC=C(C=C1)CCNCC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C21H23NO2/c23-19(15-22-14-13-17-7-2-1-3-8-17)16-24-21-12-6-10-18-9-4-5-11-20(18)21/h1-12,19,22-23H,13-16H2
InChIKey
WGWCQQJDGPKRGN-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yloxy-3-(2-phenylethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 176.5
[M+Na]+ 344.16210 180.5
[M-H]- 320.16560 181.5
[M+NH4]+ 339.20670 190.0
[M+K]+ 360.13604 175.0
[M+H-H2O]+ 304.17014 167.5
[M+HCOO]- 366.17108 197.1
[M+CH3COO]- 380.18673 209.1
[M+Na-2H]- 342.14755 182.1
[M]+ 321.17233 176.6
[M]- 321.17343 176.6
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.