CID 3062386

3-(4-morpholinylmethyl)benzo(c)thiophen-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C13H15NO2S
SMILES
C1COCCN1CC2C3=CC=CC=C3C(=O)S2
InChI
InChI=1S/C13H15NO2S/c15-13-11-4-2-1-3-10(11)12(17-13)9-14-5-7-16-8-6-14/h1-4,12H,5-9H2
InChIKey
DFZYARJKDWBGPF-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08235 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08963 153.7
[M+Na]+ 272.07157 160.8
[M-H]- 248.07507 160.1
[M+NH4]+ 267.11617 171.6
[M+K]+ 288.04551 158.3
[M+H-H2O]+ 232.07961 147.2
[M+HCOO]- 294.08055 167.1
[M+CH3COO]- 308.09620 165.6
[M+Na-2H]- 270.05702 155.2
[M]+ 249.08180 152.9
[M]- 249.08290 152.9
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.