CID 205157

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

Structural Information

Molecular Formula
C13H17NOS2
SMILES
CN(C)CCC(C1=CSC=C1)(C2=CSC=C2)O
InChI
InChI=1S/C13H17NOS2/c1-14(2)6-5-13(15,11-3-7-16-9-11)12-4-8-17-10-12/h3-4,7-10,15H,5-6H2,1-2H3
InChIKey
VFCDWTPLIFWNET-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1,1-di(thiophen-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07516 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08244 160.8
[M+Na]+ 290.06438 170.0
[M+NH4]+ 285.10898 170.0
[M+K]+ 306.03832 163.8
[M-H]- 266.06788 164.5
[M+Na-2H]- 288.04983 166.8
[M]+ 267.07461 164.1
[M]- 267.07571 164.1
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.