CID 205165

1-propanol, 1,1-di(thien-3-yl)-3-piperidino-, hydrobromide

Structural Information

Molecular Formula
C16H21NOS2
SMILES
C1CCN(CC1)CCC(C2=CSC=C2)(C3=CSC=C3)O
InChI
InChI=1S/C16H21NOS2/c18-16(14-4-10-19-12-14,15-5-11-20-13-15)6-9-17-7-2-1-3-8-17/h4-5,10-13,18H,1-3,6-9H2
InChIKey
NCMPFKSMQSUIQI-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1,1-di(thiophen-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10645 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11373 171.6
[M+Na]+ 330.09567 178.5
[M-H]- 306.09917 178.6
[M+NH4]+ 325.14027 188.9
[M+K]+ 346.06961 173.3
[M+H-H2O]+ 290.10371 165.7
[M+HCOO]- 352.10465 181.9
[M+CH3COO]- 366.12030 182.1
[M+Na-2H]- 328.08112 169.5
[M]+ 307.10590 171.5
[M]- 307.10700 171.5
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.