CID 202038

Ethanol, 2-(n-((5-chlorobenzo(b)thien-3-yl)methyl)-n-ethylamino)-, hydrochloride

Structural Information

Molecular Formula
C13H16ClNOS
SMILES
CCN(CCO)CC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C13H16ClNOS/c1-2-15(5-6-16)8-10-9-17-13-4-3-11(14)7-12(10)13/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKey
AIYQKJMMZLHTHH-UHFFFAOYSA-N
Compound name
2-[(5-chloro-1-benzothiophen-3-yl)methyl-ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

269.06412 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07140 158.9
[M+Na]+ 292.05334 168.8
[M-H]- 268.05684 164.2
[M+NH4]+ 287.09794 180.1
[M+K]+ 308.02728 163.5
[M+H-H2O]+ 252.06138 154.1
[M+HCOO]- 314.06232 174.7
[M+CH3COO]- 328.07797 197.9
[M+Na-2H]- 290.03879 161.2
[M]+ 269.06357 166.6
[M]- 269.06467 166.6
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.