CID 205133

Ethanol, 2-(tert-butyl((5-chlorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C15H20ClNOS
SMILES
CC(C)(C)N(CCO)CC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C15H20ClNOS/c1-15(2,3)17(6-7-18)9-11-10-19-14-5-4-12(16)8-13(11)14/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKey
NCGHEIMKLGJUSX-UHFFFAOYSA-N
Compound name
2-[tert-butyl-[(5-chloro-1-benzothiophen-3-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10268 169.8
[M+Na]+ 320.08462 179.1
[M-H]- 296.08812 175.0
[M+NH4]+ 315.12922 189.9
[M+K]+ 336.05856 173.8
[M+H-H2O]+ 280.09266 165.1
[M+HCOO]- 342.09360 183.3
[M+CH3COO]- 356.10925 203.5
[M+Na-2H]- 318.07007 171.8
[M]+ 297.09485 177.6
[M]- 297.09595 177.6
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.