CID 206202

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

Structural Information

Molecular Formula
C15H21NOS2
SMILES
CCN(CC)CCC(C1=CSC=C1)(C2=CSC=C2)O
InChI
InChI=1S/C15H21NOS2/c1-3-16(4-2)8-7-15(17,13-5-9-18-11-13)14-6-10-19-12-14/h5-6,9-12,17H,3-4,7-8H2,1-2H3
InChIKey
QZIRACICOCPQES-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1,1-di(thiophen-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10645 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11373 171.5
[M+Na]+ 318.09567 179.1
[M-H]- 294.09917 178.6
[M+NH4]+ 313.14027 191.1
[M+K]+ 334.06961 174.9
[M+H-H2O]+ 278.10371 165.5
[M+HCOO]- 340.10465 186.7
[M+CH3COO]- 354.12030 201.2
[M+Na-2H]- 316.08112 170.4
[M]+ 295.10590 177.2
[M]- 295.10700 177.2
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.