CID 3087831

St 565

Structural Information

Molecular Formula
C25H33NO4
SMILES
COC1=CC=C(C=C1)C(CN(CC2CC2)C3CCC4=CC(=C(C=C4C3)OC)OC)O
InChI
InChI=1S/C25H33NO4/c1-28-22-10-7-18(8-11-22)23(27)16-26(15-17-4-5-17)21-9-6-19-13-24(29-2)25(30-3)14-20(19)12-21/h7-8,10-11,13-14,17,21,23,27H,4-6,9,12,15-16H2,1-3H3
InChIKey
APQVOKJOCBOEJE-UHFFFAOYSA-N
Compound name
2-[cyclopropylmethyl-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.24097 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.248246 195.3
[M+Na]+ 434.230188 199.7
[M-H]- 410.233694 204.7
[M+NH4]+ 429.274793 201.6
[M+K]+ 450.204128 196.2
[M+H-H2O]+ 394.238230 186.1
[M+HCOO]- 456.239171 212.9
[M+CH3COO]- 470.254821 232.3
[M+Na-2H]- 432.215636 195.0
[M]+ 411.24042142 200.2
[M]- 411.24151858 200.2
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.