CID 5484090

24921-64-0

Structural Information

Molecular Formula
C21H29NO
SMILES
CC(=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)C
InChI
InChI=1S/C21H29NO/c1-15(2)8-11-22-12-10-21-9-4-3-5-18(21)20(22)13-16-6-7-17(23)14-19(16)21/h6-8,14,18,20,23H,3-5,9-13H2,1-2H3/t18-,20+,21+/m0/s1
InChIKey
GKXJMIOXPSNPJS-CEWLAPEOSA-N
Compound name
(1R,9R,10R)-17-(3-methylbut-2-enyl)-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

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 180.0
[M+Na]+ 334.21412 191.7
[M+NH4]+ 329.25872 190.9
[M+K]+ 350.18806 180.9
[M-H]- 310.21762 183.3
[M+Na-2H]- 332.19957 183.6
[M]+ 311.22435 182.7
[M]- 311.22545 182.7
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.