CID 5492733

Mr 1257 ms

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CC5=COC=C5
InChI
InChI=1S/C21H25NO2/c23-17-5-4-16-11-20-18-3-1-2-7-21(18,19(16)12-17)8-9-22(20)13-15-6-10-24-14-15/h4-6,10,12,14,18,20,23H,1-3,7-9,11,13H2/t18-,20+,21+/m0/s1
InChIKey
RDALYHSEPOUIRE-CEWLAPEOSA-N
Compound name
(1R,9R,10R)-17-(furan-3-ylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

323.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.5
[M+Na]+ 346.17776 192.4
[M+NH4]+ 341.22236 191.0
[M+K]+ 362.15170 183.7
[M-H]- 322.18126 186.0
[M+Na-2H]- 344.16321 184.6
[M]+ 323.18799 183.4
[M]- 323.18909 183.4
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

patents stripe