CID 2739422

Maybridge3_006192

Structural Information

Molecular Formula

C₁₃H₉N₃O₂S

SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C3=NOC=N3

InChI

InChI=1S/C13H9N3O2S/c17-13(11-5-2-6-19-11)15-10-4-1-3-9(7-10)12-14-8-18-16-12/h1-8H,(H,15,17)

InChIKey

STBMJBUYZDTHDT-UHFFFAOYSA-N

Compound name

N-[3-(1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 271.04153 Da
Monoisotopic Mass: 2.7
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]+	272.048806	157.4
[M+Na]+	294.030748	167.8
[M-H]-	270.034254	167.1
[M+NH4]+	289.075353	173.5
[M+K]+	310.004688	164.9
[M+H-H2O]+	254.038790	149.9
[M+HCOO]-	316.039731	179.1
[M+CH3COO]-	330.055381	170.9
[M+Na-2H]-	292.016196	160.2
[M]+	271.04098142	162.0
[M]-	271.04207858	162.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.