CID 6602237

63868-23-5

Structural Information

Molecular Formula
C25H31NO
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCC5=CC=CC=C5
InChI
InChI=1S/C25H31NO/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,4-6,9-10,13-17H2/t22-,24+,25+/m0/s1
InChIKey
FPKXQFYTKPSLPM-ICDZXHCJSA-N
Compound name
(1R,9R,10R)-17-(3-phenylpropyl)-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

361.24057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24785 194.0
[M+Na]+ 384.22979 208.2
[M+NH4]+ 379.27439 205.8
[M+K]+ 400.20373 195.2
[M-H]- 360.23329 200.5
[M+Na-2H]- 382.21524 200.9
[M]+ 361.24002 198.2
[M]- 361.24112 198.2
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.