CID 3087847

Dtxsid50922122

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCN(CC(C1=CC=CC=C1)O)C2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C22H29NO3/c1-4-23(15-20(24)16-8-6-5-7-9-16)19-11-10-17-13-21(25-2)22(26-3)14-18(17)12-19/h5-9,13-14,19-20,24H,4,10-12,15H2,1-3H3
InChIKey
PPBZIIZKCOEKJJ-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-ethylamino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

355.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.222026 187.2
[M+Na]+ 378.203968 190.4
[M-H]- 354.207474 193.4
[M+NH4]+ 373.248573 200.3
[M+K]+ 394.177908 187.4
[M+H-H2O]+ 338.212010 178.0
[M+HCOO]- 400.212951 205.1
[M+CH3COO]- 414.228601 220.5
[M+Na-2H]- 376.189416 188.1
[M]+ 355.21420142 188.2
[M]- 355.21529858 188.2
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

patents stripe