CID 3087847

St 570

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

2
Patents

355.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 187.2
[M+Na]+ 378.20397 190.4
[M-H]- 354.20747 193.4
[M+NH4]+ 373.24857 200.3
[M+K]+ 394.17791 187.4
[M+H-H2O]+ 338.21201 178.0
[M+HCOO]- 400.21295 205.1
[M+CH3COO]- 414.22860 220.5
[M+Na-2H]- 376.18942 188.1
[M]+ 355.21420 188.2
[M]- 355.21530 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