CID 3087845

St 563

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC1=CC=C(C=C1)C(CNC2CCC3=CC(=C(C=C3C2)OC)OC)O
InChI
InChI=1S/C21H27NO3/c1-14-4-6-15(7-5-14)19(23)13-22-18-9-8-16-11-20(24-2)21(25-3)12-17(16)10-18/h4-7,11-12,18-19,22-23H,8-10,13H2,1-3H3
InChIKey
RAUVNSBJGROTJC-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

341.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 182.6
[M+Na]+ 364.188318 187.1
[M-H]- 340.191824 188.0
[M+NH4]+ 359.232923 196.0
[M+K]+ 380.162258 183.0
[M+H-H2O]+ 324.196360 174.0
[M+HCOO]- 386.197301 200.4
[M+CH3COO]- 400.212951 215.6
[M+Na-2H]- 362.173766 184.1
[M]+ 341.19855142 182.5
[M]- 341.19964858 182.5
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