CID 3087839

St 579

Structural Information

Molecular Formula
C20H25NO3
SMILES
COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=CC=C3)O)OC
InChI
InChI=1S/C20H25NO3/c1-23-19-11-15-8-9-17(10-16(15)12-20(19)24-2)21-13-18(22)14-6-4-3-5-7-14/h3-7,11-12,17-18,21-22H,8-10,13H2,1-2H3
InChIKey
RHVQQJAVXBUPLP-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

327.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 177.6
[M+Na]+ 350.17266 181.7
[M-H]- 326.17616 182.9
[M+NH4]+ 345.21726 191.3
[M+K]+ 366.14660 177.7
[M+H-H2O]+ 310.18070 169.0
[M+HCOO]- 372.18164 195.8
[M+CH3COO]- 386.19729 211.4
[M+Na-2H]- 348.15811 180.4
[M]+ 327.18289 176.9
[M]- 327.18399 176.9
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