CID 2347984

380451-75-2

Structural Information

Molecular Formula

C₁₉H₁₄N₄O₄S

SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C19H14N4O4S/c24-17(21-11-5-6-15-16(7-11)26-10-25-15)9-28-19-23-22-18(27-19)13-8-20-14-4-2-1-3-12(13)14/h1-8,20H,9-10H2,(H,21,24)

InChIKey

AMIFDKWTZTWBRC-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 394.07358 Da
Monoisotopic Mass: 3.1
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]+	395.080856	184.1
[M+Na]+	417.062798	194.7
[M-H]-	393.066304	194.9
[M+NH4]+	412.107403	194.7
[M+K]+	433.036738	193.3
[M+H-H2O]+	377.070840	179.3
[M+HCOO]-	439.071781	199.1
[M+CH3COO]-	453.087431	195.4
[M+Na-2H]-	415.048246	184.7
[M]+	394.07303142	191.8
[M]-	394.07412858	191.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe