CID 3046227

Mrz 2266 bs

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)CC)C=C(C=C3)O
InChI
InChI=1S/C21H27NO2/c1-3-18-20-11-16-5-6-17(23)12-19(16)21(18,4-2)8-9-22(20)13-15-7-10-24-14-15/h5-7,10,12,14,18,20,23H,3-4,8-9,11,13H2,1-2H3/t18-,20-,21+/m0/s1
InChIKey
HEYXXBUDMDVUNQ-SESVDKBCSA-N
Compound name
(1R,9S,13R)-1,13-diethyl-10-(furan-3-ylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

179
References

17
Patents

325.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.6
[M+Na]+ 348.19342 193.6
[M+NH4]+ 343.23802 191.3
[M+K]+ 364.16736 185.0
[M-H]- 324.19692 185.5
[M+Na-2H]- 346.17887 184.7
[M]+ 325.20365 184.1
[M]- 325.20475 184.1
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.