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

1
Patents

369.2304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23768 191.8
[M+Na]+ 392.21962 194.5
[M-H]- 368.22312 197.8
[M+NH4]+ 387.26422 204.3
[M+K]+ 408.19356 191.3
[M+H-H2O]+ 352.22766 182.4
[M+HCOO]- 414.22860 209.3
[M+CH3COO]- 428.24425 223.5
[M+Na-2H]- 390.20507 192.1
[M]+ 369.22985 193.1
[M]- 369.23095 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.