CID 3736658

572891-16-8

Structural Information

Molecular Formula

C₁₈H₂₀N₄O₂S₂

SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=CS3

InChI

InChI=1S/C18H20N4O2S2/c1-4-22-17(15-6-5-9-25-15)20-21-18(22)26-11-16(23)19-13-10-12(2)7-8-14(13)24-3/h5-10H,4,11H2,1-3H3,(H,19,23)

InChIKey

XXOZVWPCTACIFA-UHFFFAOYSA-N

Compound name

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 388.10278 Da
Monoisotopic Mass: 3.2
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]+	389.110056	188.5
[M+Na]+	411.091998	199.4
[M-H]-	387.095504	196.4
[M+NH4]+	406.136603	201.2
[M+K]+	427.065938	193.1
[M+H-H2O]+	371.100040	180.9
[M+HCOO]-	433.100981	202.8
[M+CH3COO]-	447.116631	199.2
[M+Na-2H]-	409.077446	185.0
[M]+	388.10223142	196.9
[M]-	388.10332858	196.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.