CID 28588

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

Structural Information

Molecular Formula
C17H23NOS2
SMILES
CC(CC(C1=CSC=C1)(C2=CSC=C2)O)N3CCCCC3
InChI
InChI=1S/C17H23NOS2/c1-14(18-7-3-2-4-8-18)11-17(19,15-5-9-20-12-15)16-6-10-21-13-16/h5-6,9-10,12-14,19H,2-4,7-8,11H2,1H3
InChIKey
OSXDBRQUIHYBNU-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1,1-di(thiophen-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1221 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12938 176.0
[M+Na]+ 344.11132 182.0
[M-H]- 320.11482 182.9
[M+NH4]+ 339.15592 192.6
[M+K]+ 360.08526 177.1
[M+H-H2O]+ 304.11936 170.1
[M+HCOO]- 366.12030 184.9
[M+CH3COO]- 380.13595 185.9
[M+Na-2H]- 342.09677 172.7
[M]+ 321.12155 175.8
[M]- 321.12265 175.8
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.