CID 860207

436093-41-3

Structural Information

Molecular Formula

C₁₅H₁₅NOS

SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCC3)N

InChI

InChI=1S/C15H15NOS/c1-9-5-7-10(8-6-9)14(17)13-11-3-2-4-12(11)18-15(13)16/h5-8H,2-4,16H2,1H3

InChIKey

BWHNGJOLVNWJSU-UHFFFAOYSA-N

Compound name

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 20
Patents: 257.08743 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.09471	158.1
[M+Na]+	280.07665	169.0
[M+NH4]+	275.12125	167.9
[M+K]+	296.05059	163.8
[M-H]-	256.08015	162.7
[M+Na-2H]-	278.06210	163.4
[M]+	257.08688	161.3
[M]-	257.08798	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe