CID 58151

101018-80-8

Structural Information

Molecular Formula

C₂₀H₂₅N₃OS

SMILES

CCCCN1C(=NC2=C1C3=CC=CC=C3SC2=O)CN4CCCCC4

InChI

InChI=1S/C20H25N3OS/c1-2-3-13-23-17(14-22-11-7-4-8-12-22)21-18-19(23)15-9-5-6-10-16(15)25-20(18)24/h5-6,9-10H,2-4,7-8,11-14H2,1H3

InChIKey

APKDNAHEMGOTMQ-UHFFFAOYSA-N

Compound name

1-butyl-2-(piperidin-1-ylmethyl)thiochromeno[3,4-d]imidazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.17184 Da
Monoisotopic Mass: 3.9
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]+	356.179116	184.7
[M+Na]+	378.161058	193.8
[M-H]-	354.164564	188.9
[M+NH4]+	373.205663	198.4
[M+K]+	394.134998	186.6
[M+H-H2O]+	338.169100	175.4
[M+HCOO]-	400.170041	196.2
[M+CH3COO]-	414.185691	194.2
[M+Na-2H]-	376.146506	185.0
[M]+	355.17129142	187.6
[M]-	355.17238858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.