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 195.7
[M+Na]+ 378.18622 200.6
[M-H]- 354.18972 198.8
[M+NH4]+ 373.23082 211.3
[M+K]+ 394.16016 195.4
[M+H-H2O]+ 338.19426 195.3
[M+HCOO]- 400.19520 200.1
[M+CH3COO]- 414.21085 201.7
[M+Na-2H]- 376.17167 199.5
[M]+ 355.19645 194.9
[M]- 355.19755 194.9
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.