CID 28590

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

Structural Information

Molecular Formula
C16H21NO2S2
SMILES
CC(CC(C1=CSC=C1)(C2=CSC=C2)O)N3CCOCC3
InChI
InChI=1S/C16H21NO2S2/c1-13(17-4-6-19-7-5-17)10-16(18,14-2-8-20-11-14)15-3-9-21-12-15/h2-3,8-9,11-13,18H,4-7,10H2,1H3
InChIKey
WBFLFDWFGVKZRA-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1,1-di(thiophen-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.10138 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10866 170.3
[M+Na]+ 346.09060 179.8
[M+NH4]+ 341.13520 178.9
[M+K]+ 362.06454 174.3
[M-H]- 322.09410 175.4
[M+Na-2H]- 344.07605 175.9
[M]+ 323.10083 174.0
[M]- 323.10193 174.0
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.