CID 206156

42981-91-9

Structural Information

Molecular Formula
C21H23NO2
SMILES
COC1=C(C2=C(C=C1)C(C3=CC=CC=C3C=C2)O)CN4CCCC4
InChI
InChI=1S/C21H23NO2/c1-24-20-11-10-18-17(19(20)14-22-12-4-5-13-22)9-8-15-6-2-3-7-16(15)21(18)23/h2-3,6-11,21,23H,4-5,12-14H2,1H3
InChIKey
IRUJZLPOZJUYPK-UHFFFAOYSA-N
Compound name
6-methoxy-7-(pyrrolidin-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

321.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 177.8
[M+Na]+ 344.16210 189.7
[M+NH4]+ 339.20670 186.1
[M+K]+ 360.13604 184.3
[M-H]- 320.16560 181.9
[M+Na-2H]- 342.14755 183.3
[M]+ 321.17233 180.8
[M]- 321.17343 180.8
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.