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 181.3
[M+Na]+ 368.16322 186.3
[M-H]- 344.16672 185.4
[M+NH4]+ 363.20782 194.4
[M+K]+ 384.13716 181.9
[M+H-H2O]+ 328.17126 171.8
[M+HCOO]- 390.17220 198.3
[M+CH3COO]- 404.18785 215.3
[M+Na-2H]- 366.14867 182.7
[M]+ 345.17345 179.8
[M]- 345.17455 179.8
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.