CID 3076667

131965-14-5

Structural Information

Molecular Formula
C15H21NO2S
SMILES
CN(C)CCCOCC(C1=CC2=C(C=C1)C=CS2)O
InChI
InChI=1S/C15H21NO2S/c1-16(2)7-3-8-18-11-14(17)13-5-4-12-6-9-19-15(12)10-13/h4-6,9-10,14,17H,3,7-8,11H2,1-2H3
InChIKey
MYEQGSQJPQAJRB-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-6-yl)-2-[3-(dimethylamino)propoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1293 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13658 163.9
[M+Na]+ 302.11852 174.3
[M+NH4]+ 297.16312 172.6
[M+K]+ 318.09246 167.5
[M-H]- 278.12202 166.5
[M+Na-2H]- 300.10397 168.8
[M]+ 279.12875 166.5
[M]- 279.12985 166.5
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.