CID 3076646

131964-30-2

Structural Information

Molecular Formula
C14H19NO2S
SMILES
CN(C)CCOCC(C1=CC2=C(C=C1)SC=C2)O
InChI
InChI=1S/C14H19NO2S/c1-15(2)6-7-17-10-13(16)11-3-4-14-12(9-11)5-8-18-14/h3-5,8-9,13,16H,6-7,10H2,1-2H3
InChIKey
KKKHPJYEIPYERC-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

265.11365 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12093 160.8
[M+Na]+ 288.10287 168.0
[M-H]- 264.10637 165.6
[M+NH4]+ 283.14747 180.7
[M+K]+ 304.07681 165.4
[M+H-H2O]+ 248.11091 154.6
[M+HCOO]- 310.11185 180.0
[M+CH3COO]- 324.12750 198.9
[M+Na-2H]- 286.08832 162.7
[M]+ 265.11310 167.2
[M]- 265.11420 167.2
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

patents stripe