CID 52656

73855-69-3

Structural Information

Molecular Formula
C22H29NOS
SMILES
C1CC2CCC1CN(C2)CCC(CC3=CC=CC=C3)(C4=CC=CS4)O
InChI
InChI=1S/C22H29NOS/c24-22(21-7-4-14-25-21,15-18-5-2-1-3-6-18)12-13-23-16-19-8-9-20(17-23)11-10-19/h1-7,14,19-20,24H,8-13,15-17H2
InChIKey
NDAKMAPCTFMTSY-UHFFFAOYSA-N
Compound name
4-(3-azabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-thiophen-2-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.197 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20428 176.1
[M+Na]+ 378.18622 180.9
[M+NH4]+ 373.23082 183.2
[M+K]+ 394.16016 176.9
[M-H]- 354.18972 176.0
[M+Na-2H]- 376.17167 176.2
[M]+ 355.19645 177.2
[M]- 355.19755 177.2
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.