CID 3065857

109171-70-2

Structural Information

Molecular Formula
C17H29NO2S
SMILES
CC1=CSC=C1OCC(CN2C(CCCC2(C)C)(C)C)O
InChI
InChI=1S/C17H29NO2S/c1-13-11-21-12-15(13)20-10-14(19)9-18-16(2,3)7-6-8-17(18,4)5/h11-12,14,19H,6-10H2,1-5H3
InChIKey
QOJJUNJXGHUSMJ-UHFFFAOYSA-N
Compound name
1-(4-methylthiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1919 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19918 174.1
[M+Na]+ 334.18112 183.2
[M+NH4]+ 329.22572 184.4
[M+K]+ 350.15506 173.5
[M-H]- 310.18462 176.1
[M+Na-2H]- 332.16657 180.3
[M]+ 311.19135 176.6
[M]- 311.19245 176.6
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.