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 174.0
[M+Na]+ 346.09060 180.4
[M-H]- 322.09410 181.7
[M+NH4]+ 341.13520 189.3
[M+K]+ 362.06454 177.3
[M+H-H2O]+ 306.09864 168.7
[M+HCOO]- 368.09958 182.9
[M+CH3COO]- 382.11523 184.3
[M+Na-2H]- 344.07605 172.0
[M]+ 323.10083 175.1
[M]- 323.10193 175.1
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.