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 176.2
[M+Na]+ 368.02492 184.5
[M-H]- 344.02842 181.6
[M+NH4]+ 363.06952 192.7
[M+K]+ 383.99886 177.5
[M+H-H2O]+ 328.03296 171.4
[M+HCOO]- 390.03390 185.2
[M+CH3COO]- 404.04955 207.2
[M+Na-2H]- 366.01037 174.3
[M]+ 345.03515 182.8
[M]- 345.03625 182.8
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