CID 5486022

63732-91-2

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC(=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)COC
InChI
InChI=1S/C22H31NO2/c1-16(15-25-2)8-11-23-12-10-22-9-4-3-5-19(22)21(23)13-17-6-7-18(24)14-20(17)22/h6-8,14,19,21,24H,3-5,9-13,15H2,1-2H3/t19-,21+,22+/m0/s1
InChIKey
ACPCGJKHLWDHOH-KSEOMHKRSA-N
Compound name
(1R,9R,10R)-17-(4-methoxy-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

341.23547 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 186.2
[M+Na]+ 364.22469 188.7
[M-H]- 340.22819 187.3
[M+NH4]+ 359.26929 201.7
[M+K]+ 380.19863 183.0
[M+H-H2O]+ 324.23273 176.6
[M+HCOO]- 386.23367 194.0
[M+CH3COO]- 400.24932 193.0
[M+Na-2H]- 362.21014 187.2
[M]+ 341.23492 180.4
[M]- 341.23602 180.4
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

No patent data available for this compound.