CID 211347

22916-54-7

Structural Information

Molecular Formula

C₁₆H₂₁N₃OS

SMILES

CCCN(CCC)CC1C(=O)N2C3=CC=CC=C3N=C2S1

InChI

InChI=1S/C16H21N3OS/c1-3-9-18(10-4-2)11-14-15(20)19-13-8-6-5-7-12(13)17-16(19)21-14/h5-8,14H,3-4,9-11H2,1-2H3

InChIKey

PZBSJGWNLUCYPX-UHFFFAOYSA-N

Compound name

2-[(dipropylamino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.14053 Da
Monoisotopic Mass: 3.8
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]+	304.147806	171.8
[M+Na]+	326.129748	181.7
[M-H]-	302.133254	176.7
[M+NH4]+	321.174353	191.7
[M+K]+	342.103688	177.8
[M+H-H2O]+	286.137790	165.1
[M+HCOO]-	348.138731	189.8
[M+CH3COO]-	362.154381	184.0
[M+Na-2H]-	324.115196	172.1
[M]+	303.13998142	179.6
[M]-	303.14107858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.