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 183.0
[M+Na]+ 398.03548 191.4
[M-H]- 374.03898 188.6
[M+NH4]+ 393.08008 198.5
[M+K]+ 414.00942 184.9
[M+H-H2O]+ 358.04352 178.1
[M+HCOO]- 420.04446 191.9
[M+CH3COO]- 434.06011 213.3
[M+Na-2H]- 396.02093 180.2
[M]+ 375.04571 191.7
[M]- 375.04681 191.7
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