CID 2301583

Brn 4253018

Structural Information

Molecular Formula

C₁₀H₁₈N₄OS

SMILES

CCC1=NN=C(S1)NC(=O)CN(CC)CC

InChI

InChI=1S/C10H18N4OS/c1-4-9-12-13-10(16-9)11-8(15)7-14(5-2)6-3/h4-7H2,1-3H3,(H,11,13,15)

InChIKey

SLLMKMZNYHLDDE-UHFFFAOYSA-N

Compound name

2-(diethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 242.12013 Da
Monoisotopic Mass: 1.5
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]+	243.12741	155.8
[M+Na]+	265.10935	162.4
[M-H]-	241.11285	158.3
[M+NH4]+	260.15395	173.3
[M+K]+	281.08329	160.9
[M+H-H2O]+	225.11739	147.6
[M+HCOO]-	287.11833	174.8
[M+CH3COO]-	301.13398	199.1
[M+Na-2H]-	263.09480	156.2
[M]+	242.11958	160.2
[M]-	242.12068	160.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.