CID 204563

Ethanol, 2-(((5-chlorobenzo(b)thien-3-yl)methyl)isopropylamino)-, hydrochloride

Structural Information

Molecular Formula
C14H18ClNOS
SMILES
CC(C)N(CCO)CC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C14H18ClNOS/c1-10(2)16(5-6-17)8-11-9-18-14-4-3-12(15)7-13(11)14/h3-4,7,9-10,17H,5-6,8H2,1-2H3
InChIKey
MCYRUIXPZLAWPC-UHFFFAOYSA-N
Compound name
2-[(5-chloro-1-benzothiophen-3-yl)methyl-propan-2-ylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08705 163.0
[M+Na]+ 306.06899 175.3
[M+NH4]+ 301.11359 172.6
[M+K]+ 322.04293 167.5
[M-H]- 282.07249 166.2
[M+Na-2H]- 304.05444 168.3
[M]+ 283.07922 166.5
[M]- 283.08032 166.5
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.