CID 3087833

St 566

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCCN(CC(C1=CC=CC=C1)O)C2CCC3=CC(=C(C=C3C2)OC)OC
InChI
InChI=1S/C23H31NO3/c1-4-12-24(16-21(25)17-8-6-5-7-9-17)20-11-10-18-14-22(26-2)23(27-3)15-19(18)13-20/h5-9,14-15,20-21,25H,4,10-13,16H2,1-3H3
InChIKey
IVWREPLTRDJIDS-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.2304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.237676 191.8
[M+Na]+ 392.219618 194.5
[M-H]- 368.223124 197.8
[M+NH4]+ 387.264223 204.3
[M+K]+ 408.193558 191.3
[M+H-H2O]+ 352.227660 182.4
[M+HCOO]- 414.228601 209.3
[M+CH3COO]- 428.244251 223.5
[M+Na-2H]- 390.205066 192.1
[M]+ 369.22985142 193.1
[M]- 369.23094858 193.1
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.