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]+ 350.24785 189.8
[M+Na]+ 372.22979 195.0
[M-H]- 348.23329 192.6
[M+NH4]+ 367.27439 205.3
[M+K]+ 388.20373 187.9
[M+H-H2O]+ 332.23783 179.7
[M+HCOO]- 394.23877 201.2
[M+CH3COO]- 408.25442 197.7
[M+Na-2H]- 370.21524 192.8
[M]+ 349.24002 187.4
[M]- 349.24112 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.