CID 5745778

63868-24-6

Structural Information

Molecular Formula
C25H27NO
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CC#CC5=CC=CC=C5
InChI
InChI=1S/C25H27NO/c27-21-12-11-20-17-24-22-10-4-5-13-25(22,23(20)18-21)14-16-26(24)15-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,18,22,24,27H,4-5,10,13-17H2/t22-,24+,25+/m0/s1
InChIKey
VXYBMIFBKLATDR-ICDZXHCJSA-N
Compound name
(1R,9R,10R)-17-(3-phenylprop-2-ynyl)-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

357.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21654 196.9
[M+Na]+ 380.19848 210.6
[M+NH4]+ 375.24308 204.5
[M+K]+ 396.17242 195.1
[M-H]- 356.20198 194.6
[M+Na-2H]- 378.18393 199.9
[M]+ 357.20871 197.8
[M]- 357.20981 197.8
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.