CID 6602217

63867-87-8

Structural Information

Molecular Formula
C20H27NO
SMILES
CC(=C)CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C20H27NO/c1-14(2)13-21-10-9-20-8-4-3-5-17(20)19(21)11-15-6-7-16(22)12-18(15)20/h6-7,12,17,19,22H,1,3-5,8-11,13H2,2H3/t17-,19+,20+/m0/s1
InChIKey
XJQKTJBZFRAIHQ-DFQSSKMNSA-N
Compound name
(1R,9R,10R)-17-(2-methylprop-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

297.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.4
[M+Na]+ 320.19848 187.3
[M+NH4]+ 315.24308 186.5
[M+K]+ 336.17242 176.7
[M-H]- 296.20198 178.8
[M+Na-2H]- 318.18393 179.3
[M]+ 297.20871 178.2
[M]- 297.20981 178.2
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.