CID 3042158

Ethanol, 1-(4,5-dichloro-2-thienyl)-2-((p-methoxyphenethyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C15H17Cl2NO2S
SMILES
COC1=CC=C(C=C1)CCNCC(C2=CC(=C(S2)Cl)Cl)O
InChI
InChI=1S/C15H17Cl2NO2S/c1-20-11-4-2-10(3-5-11)6-7-18-9-13(19)14-8-12(16)15(17)21-14/h2-5,8,13,18-19H,6-7,9H2,1H3
InChIKey
LVNWOJBRDFWQMH-UHFFFAOYSA-N
Compound name
1-(4,5-dichlorothiophen-2-yl)-2-[2-(4-methoxyphenyl)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.0357 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04298 177.9
[M+Na]+ 368.02492 190.2
[M+NH4]+ 363.06952 186.3
[M+K]+ 383.99886 181.9
[M-H]- 344.02842 181.5
[M+Na-2H]- 366.01037 183.6
[M]+ 345.03515 181.6
[M]- 345.03625 181.6
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

patents stripe