CID 211309

22833-35-8

Structural Information

Molecular Formula

C₁₄H₁₇N₃OS

SMILES

CCN(CC)CC1C(=O)N2C3=CC=CC=C3N=C2S1

InChI

InChI=1S/C14H17N3OS/c1-3-16(4-2)9-12-13(18)17-11-8-6-5-7-10(11)15-14(17)19-12/h5-8,12H,3-4,9H2,1-2H3

InChIKey

DMUCSTGGZQBYLK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.10922 Da
Monoisotopic Mass: 2.8
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]+	276.116496	162.8
[M+Na]+	298.098438	173.6
[M-H]-	274.101944	168.2
[M+NH4]+	293.143043	183.9
[M+K]+	314.072378	170.2
[M+H-H2O]+	258.106480	156.5
[M+HCOO]-	320.107421	181.5
[M+CH3COO]-	334.123071	175.9
[M+Na-2H]-	296.083886	164.1
[M]+	275.10867142	170.0
[M]-	275.10976858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.