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]+ 342.20638 182.6
[M+Na]+ 364.18832 187.1
[M-H]- 340.19182 188.0
[M+NH4]+ 359.23292 196.0
[M+K]+ 380.16226 183.0
[M+H-H2O]+ 324.19636 174.0
[M+HCOO]- 386.19730 200.4
[M+CH3COO]- 400.21295 215.6
[M+Na-2H]- 362.17377 184.1
[M]+ 341.19855 182.5
[M]- 341.19965 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