CID 3042156

Ethanol, 1-(4,5-dichloro-2-thienyl)-2-((3,4-dimethoxyphenethyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C16H19Cl2NO3S
SMILES
COC1=C(C=C(C=C1)CCNCC(C2=CC(=C(S2)Cl)Cl)O)OC
InChI
InChI=1S/C16H19Cl2NO3S/c1-21-13-4-3-10(7-14(13)22-2)5-6-19-9-12(20)15-8-11(17)16(18)23-15/h3-4,7-8,12,19-20H,5-6,9H2,1-2H3
InChIKey
FSDLKFMMNQGKBP-UHFFFAOYSA-N
Compound name
1-(4,5-dichlorothiophen-2-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

375.04626 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05354 185.3
[M+Na]+ 398.03548 197.2
[M+NH4]+ 393.08008 193.0
[M+K]+ 414.00942 189.4
[M-H]- 374.03898 188.4
[M+Na-2H]- 396.02093 190.1
[M]+ 375.04571 188.8
[M]- 375.04681 188.8
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