CID 703965

4815-35-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS

SMILES

C1=CC=C(C=C1)C2=CC(=C(S2)N)C(=O)N

InChI

InChI=1S/C11H10N2OS/c12-10(14)8-6-9(15-11(8)13)7-4-2-1-3-5-7/h1-6H,13H2,(H2,12,14)

InChIKey

UHEGYTDIDBFUJD-UHFFFAOYSA-N

Compound name

2-amino-5-phenylthiophene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 41
Patents: 218.05139 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]+	219.05867	146.1
[M+Na]+	241.04061	154.5
[M-H]-	217.04411	152.8
[M+NH4]+	236.08521	166.0
[M+K]+	257.01455	150.1
[M+H-H2O]+	201.04865	139.7
[M+HCOO]-	263.04959	167.2
[M+CH3COO]-	277.06524	189.6
[M+Na-2H]-	239.02606	146.7
[M]+	218.05084	144.9
[M]-	218.05194	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe