CID 3076657

131964-52-8

Structural Information

Molecular Formula
C16H23NO2S
SMILES
CN(C)CCCCOCC(C1=CC2=C(C=C1)SC=C2)O
InChI
InChI=1S/C16H23NO2S/c1-17(2)8-3-4-9-19-12-15(18)13-5-6-16-14(11-13)7-10-20-16/h5-7,10-11,15,18H,3-4,8-9,12H2,1-2H3
InChIKey
MQJJNAMTVXCEIM-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-5-yl)-2-[4-(dimethylamino)butoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14496 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15224 168.3
[M+Na]+ 316.13418 178.5
[M+NH4]+ 311.17878 176.8
[M+K]+ 332.10812 171.5
[M-H]- 292.13768 170.9
[M+Na-2H]- 314.11963 172.9
[M]+ 293.14441 170.9
[M]- 293.14551 170.9
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.