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 178.7
[M+Na]+ 334.21412 181.9
[M-H]- 310.21762 180.1
[M+NH4]+ 329.25872 195.6
[M+K]+ 350.18806 175.6
[M+H-H2O]+ 294.22216 169.4
[M+HCOO]- 356.22310 186.7
[M+CH3COO]- 370.23875 186.1
[M+Na-2H]- 332.19957 180.0
[M]+ 311.22435 171.1
[M]- 311.22545 171.1
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.