CID 23789

2-(n-ethyl-n-((5-methylbenzo(b)thien-3-yl)methyl)amino)ethanol hydrochloride

Structural Information

Molecular Formula
C14H19NOS
SMILES
CCN(CCO)CC1=CSC2=C1C=C(C=C2)C
InChI
InChI=1S/C14H19NOS/c1-3-15(6-7-16)9-12-10-17-14-5-4-11(2)8-13(12)14/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKey
CPBURDVHECTNNR-UHFFFAOYSA-N
Compound name
2-[ethyl-[(5-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11873 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12601 156.4
[M+Na]+ 272.10795 165.1
[M-H]- 248.11145 161.5
[M+NH4]+ 267.15255 177.5
[M+K]+ 288.08189 161.3
[M+H-H2O]+ 232.11599 150.6
[M+HCOO]- 294.11693 176.4
[M+CH3COO]- 308.13258 197.2
[M+Na-2H]- 270.09340 158.6
[M]+ 249.11818 162.4
[M]- 249.11928 162.4
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.