CID 3072301

Brn 4874448

Structural Information

Molecular Formula

C₁₄H₁₈N₄OS

SMILES

CCC1=NN=C(S1)NC(=O)CN(C)CC2=CC=CC=C2

InChI

InChI=1S/C14H18N4OS/c1-3-13-16-17-14(20-13)15-12(19)10-18(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,17,19)

InChIKey

FIZVNILUSSJCGF-UHFFFAOYSA-N

Compound name

2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.12012 Da
Monoisotopic Mass: 2.3
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]+	291.127396	166.7
[M+Na]+	313.109338	173.1
[M-H]-	289.112844	172.4
[M+NH4]+	308.153943	181.9
[M+K]+	329.083278	169.9
[M+H-H2O]+	273.117380	157.5
[M+HCOO]-	335.118321	186.2
[M+CH3COO]-	349.133971	206.6
[M+Na-2H]-	311.094786	168.0
[M]+	290.11957142	170.2
[M]-	290.12066858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.