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 181.3
[M+Na]+ 358.17776 186.3
[M-H]- 334.18126 187.4
[M+NH4]+ 353.22236 194.2
[M+K]+ 374.15170 184.5
[M+H-H2O]+ 318.18580 173.7
[M+HCOO]- 380.18674 195.4
[M+CH3COO]- 394.20239 190.0
[M+Na-2H]- 356.16321 184.4
[M]+ 335.18799 176.4
[M]- 335.18909 176.4
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.