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 177.9
[M+Na]+ 344.16210 184.2
[M-H]- 320.16560 184.9
[M+NH4]+ 339.20670 193.3
[M+K]+ 360.13604 181.9
[M+H-H2O]+ 304.17014 171.3
[M+HCOO]- 366.17108 194.5
[M+CH3COO]- 380.18673 187.8
[M+Na-2H]- 342.14755 179.6
[M]+ 321.17233 174.9
[M]- 321.17343 174.9
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

No patent data available for this compound.