CID 205149

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

Structural Information

Molecular Formula
C14H18FNOS
SMILES
CC(C)N(CCO)CC1=CSC2=C1C=C(C=C2)F
InChI
InChI=1S/C14H18FNOS/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
PGWSHHZJWGFMGJ-UHFFFAOYSA-N
Compound name
2-[(5-fluoro-1-benzothiophen-3-yl)methyl-propan-2-ylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1093 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11658 159.3
[M+Na]+ 290.09852 167.6
[M-H]- 266.10202 163.0
[M+NH4]+ 285.14312 179.4
[M+K]+ 306.07246 163.9
[M+H-H2O]+ 250.10656 152.5
[M+HCOO]- 312.10750 177.1
[M+CH3COO]- 326.12315 200.7
[M+Na-2H]- 288.08397 159.8
[M]+ 267.10875 163.6
[M]- 267.10985 163.6
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.