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]+ 322.180156 176.5
[M+Na]+ 344.162098 180.5
[M-H]- 320.165604 181.5
[M+NH4]+ 339.206703 190.0
[M+K]+ 360.136038 175.0
[M+H-H2O]+ 304.170140 167.5
[M+HCOO]- 366.171081 197.1
[M+CH3COO]- 380.186731 209.1
[M+Na-2H]- 342.147546 182.1
[M]+ 321.17233142 176.6
[M]- 321.17342858 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.