CID 2886664

24134-83-6

Structural Information

Molecular Formula

C₁₆H₂₄N₄O₂S₃

SMILES

CCN(CC)C(=O)CSC1=C(C(=NS1)SCC(=O)N(CC)CC)C#N

InChI

InChI=1S/C16H24N4O2S3/c1-5-19(6-2)13(21)10-23-15-12(9-17)16(25-18-15)24-11-14(22)20(7-3)8-4/h5-8,10-11H2,1-4H3

InChIKey

RHRZTICEILFXLC-UHFFFAOYSA-N

Compound name

2-[[4-cyano-3-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 0
Patents: 400.10614 Da
Monoisotopic Mass: 2.9
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]+	401.113416	198.9
[M+Na]+	423.095358	204.9
[M-H]-	399.098864	202.5
[M+NH4]+	418.139963	210.4
[M+K]+	439.069298	202.1
[M+H-H2O]+	383.103400	184.4
[M+HCOO]-	445.104341	201.8
[M+CH3COO]-	459.119991	236.2
[M+Na-2H]-	421.080806	193.6
[M]+	400.10559142	200.6
[M]-	400.10668858	200.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.