CID 206154

Brn 1264703

Structural Information

Molecular Formula
C22H25NO2
SMILES
COC1=C(C2=C(C=C1)C(C3=CC=CC=C3C=C2)O)CN4CCCCC4
InChI
InChI=1S/C22H25NO2/c1-25-21-12-11-19-18(20(21)15-23-13-5-2-6-14-23)10-9-16-7-3-4-8-17(16)22(19)24/h3-4,7-12,22,24H,2,5-6,13-15H2,1H3
InChIKey
JUBBECCRFDMAEY-UHFFFAOYSA-N
Compound name
6-methoxy-7-(piperidin-1-ylmethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 182.3
[M+Na]+ 358.17776 195.1
[M+NH4]+ 353.22236 190.7
[M+K]+ 374.15170 187.4
[M-H]- 334.18126 187.2
[M+Na-2H]- 356.16321 188.5
[M]+ 335.18799 185.7
[M]- 335.18909 185.7
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.