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 194.2
[M+Na]+ 406.21749 196.3
[M-H]- 382.22099 201.7
[M+NH4]+ 401.26209 206.0
[M+K]+ 422.19143 191.6
[M+H-H2O]+ 366.22553 185.2
[M+HCOO]- 428.22647 202.5
[M+CH3COO]- 442.24212 201.6
[M+Na-2H]- 404.20294 190.2
[M]+ 383.22772 191.7
[M]- 383.22882 191.7
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.