CID 3003037

Chembl345783

Structural Information

Molecular Formula

C₁₁H₁₆N₄OS₂

SMILES

C1CC(=O)N(C1)CCCNC(=S)NC2=NC=CS2

InChI

InChI=1S/C11H16N4OS2/c16-9-3-1-6-15(9)7-2-4-12-10(17)14-11-13-5-8-18-11/h5,8H,1-4,6-7H2,(H2,12,13,14,17)

InChIKey

ADSHELIUQUWXKE-UHFFFAOYSA-N

Compound name

1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 284.07657 Da
Monoisotopic Mass: 0.8
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]+	285.08385	162.7
[M+Na]+	307.06579	169.2
[M-H]-	283.06929	166.6
[M+NH4]+	302.11039	179.6
[M+K]+	323.03973	164.8
[M+H-H2O]+	267.07383	155.4
[M+HCOO]-	329.07477	175.3
[M+CH3COO]-	343.09042	198.3
[M+Na-2H]-	305.05124	160.1
[M]+	284.07602	162.5
[M]-	284.07712	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe