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]+ 284.087046 163.9
[M+Na]+ 306.068988 172.8
[M-H]- 282.072494 169.0
[M+NH4]+ 301.113593 184.3
[M+K]+ 322.042928 167.8
[M+H-H2O]+ 266.077030 159.0
[M+HCOO]- 328.077971 178.2
[M+CH3COO]- 342.093621 201.7
[M+Na-2H]- 304.054436 164.5
[M]+ 283.07922142 171.3
[M]- 283.08031858 171.3
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.