CID 27104

2-furanpropanethiol, tetrahydro-beta-(1-naphthyl)-5-(2-piperidinoethyl)-, oxalate

Structural Information

Molecular Formula
C24H33NOS
SMILES
C1CCN(CC1)CCC2CCC(O2)CC(CS)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H33NOS/c27-18-20(24-10-6-8-19-7-2-3-9-23(19)24)17-22-12-11-21(26-22)13-16-25-14-4-1-5-15-25/h2-3,6-10,20-22,27H,1,4-5,11-18H2
InChIKey
FIWPUTDAOPJFHH-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-3-[5-(2-piperidin-1-ylethyl)oxolan-2-yl]propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.22827 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23555 193.3
[M+Na]+ 406.21749 205.2
[M+NH4]+ 401.26209 202.9
[M+K]+ 422.19143 195.8
[M-H]- 382.22099 201.2
[M+Na-2H]- 404.20294 199.0
[M]+ 383.22772 197.8
[M]- 383.22882 197.8
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.