CID 202060

Ethanol, 2-(n-((benzo(b)thien-3-yl)methyl)-n-ethylamino)-, hydrochloride

Structural Information

Molecular Formula
C13H17NOS
SMILES
CCN(CCO)CC1=CSC2=CC=CC=C21
InChI
InChI=1S/C13H17NOS/c1-2-14(7-8-15)9-11-10-16-13-6-4-3-5-12(11)13/h3-6,10,15H,2,7-9H2,1H3
InChIKey
XCEGZHHEEMCUNM-UHFFFAOYSA-N
Compound name
2-[1-benzothiophen-3-ylmethyl(ethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

235.10309 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11037 152.0
[M+Na]+ 258.09231 160.3
[M-H]- 234.09581 157.0
[M+NH4]+ 253.13691 173.4
[M+K]+ 274.06625 156.8
[M+H-H2O]+ 218.10035 146.1
[M+HCOO]- 280.10129 172.4
[M+CH3COO]- 294.11694 193.0
[M+Na-2H]- 256.07776 155.4
[M]+ 235.10254 157.3
[M]- 235.10364 157.3
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.