CID 3065859

1-piperidineethanol, alpha-(((4-methoxy-3-thienyl)oxy)methyl)-2,2,6,6-tetramethyl-, hydrochloride

Structural Information

Molecular Formula
C17H29NO3S
SMILES
CC1(CCCC(N1CC(COC2=CSC=C2OC)O)(C)C)C
InChI
InChI=1S/C17H29NO3S/c1-16(2)7-6-8-17(3,4)18(16)9-13(19)10-21-15-12-22-11-14(15)20-5/h11-13,19H,6-10H2,1-5H3
InChIKey
KPHKLQCUGZEKJV-UHFFFAOYSA-N
Compound name
1-(4-methoxythiophen-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

327.18683 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19411 175.4
[M+Na]+ 350.17605 181.2
[M-H]- 326.17955 178.9
[M+NH4]+ 345.22065 194.0
[M+K]+ 366.14999 178.7
[M+H-H2O]+ 310.18409 170.1
[M+HCOO]- 372.18503 187.0
[M+CH3COO]- 386.20068 205.2
[M+Na-2H]- 348.16150 173.7
[M]+ 327.18628 179.0
[M]- 327.18738 179.0
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.