CID 3048508

63915-46-8

Structural Information

Molecular Formula
C24H31NO
SMILES
CCC1[C@@H]2CC3=C([C@@]1(CCN2CCC4=CC=CC=C4)CC)C=C(C=C3)O
InChI
InChI=1S/C24H31NO/c1-3-21-23-16-19-10-11-20(26)17-22(19)24(21,4-2)13-15-25(23)14-12-18-8-6-5-7-9-18/h5-11,17,21,23,26H,3-4,12-16H2,1-2H3/t21?,23-,24+/m0/s1
InChIKey
HOPQUAOUAVNPDE-RPFBHVFUSA-N
Compound name
(1R,9S)-1,13-diethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.247846 189.8
[M+Na]+ 372.229788 195.0
[M-H]- 348.233294 192.6
[M+NH4]+ 367.274393 205.3
[M+K]+ 388.203728 187.9
[M+H-H2O]+ 332.237830 179.7
[M+HCOO]- 394.238771 201.2
[M+CH3COO]- 408.254421 197.7
[M+Na-2H]- 370.215236 192.8
[M]+ 349.24002142 187.4
[M]- 349.24111858 187.4
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.