CID 3057327

Semicarbazide, 1-(o-aminobenzoyl)-3-thio-

Structural Information

Molecular Formula

C₈H₁₀N₄OS

SMILES

C1=CC=C(C(=C1)C(=O)NNC(=S)N)N

InChI

InChI=1S/C8H10N4OS/c9-6-4-2-1-3-5(6)7(13)11-12-8(10)14/h1-4H,9H2,(H,11,13)(H3,10,12,14)

InChIKey

IVCHJJHRCCWAJB-UHFFFAOYSA-N

Compound name

[(2-aminobenzoyl)amino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 210.05753 Da
Monoisotopic Mass: 0.1
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]+	211.06481	144.2
[M+Na]+	233.04675	151.0
[M+NH4]+	228.09135	150.9
[M+K]+	249.02069	145.6
[M-H]-	209.05025	146.8
[M+Na-2H]-	231.03220	148.6
[M]+	210.05698	145.7
[M]-	210.05808	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe