CID 3087857

St 593

Structural Information

Molecular Formula
C20H24FNO3
SMILES
COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=C(C=C3)F)O)OC
InChI
InChI=1S/C20H24FNO3/c1-24-19-10-14-5-8-17(9-15(14)11-20(19)25-2)22-12-18(23)13-3-6-16(21)7-4-13/h3-4,6-7,10-11,17-18,22-23H,5,8-9,12H2,1-2H3
InChIKey
SRPBGQWJKNKCLM-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18128 183.0
[M+Na]+ 368.16322 194.6
[M+NH4]+ 363.20782 190.2
[M+K]+ 384.13716 187.2
[M-H]- 344.16672 186.3
[M+Na-2H]- 366.14867 188.3
[M]+ 345.17345 185.4
[M]- 345.17455 185.4
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.