CID 2746113

58064-65-6

Structural Information

Molecular Formula

C₉H₁₁N₃OS

SMILES

CNC(=S)NNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H11N3OS/c1-10-9(14)12-11-8(13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)(H2,10,12,14)

InChIKey

BHOWZSDKGPSCST-UHFFFAOYSA-N

Compound name

1-benzamido-3-methylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 209.06229 Da
Monoisotopic Mass: 0.5
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]+	210.06957	145.4
[M+Na]+	232.05151	153.7
[M+NH4]+	227.09611	152.9
[M+K]+	248.02545	146.8
[M-H]-	208.05501	148.1
[M+Na-2H]-	230.03696	151.0
[M]+	209.06174	147.4
[M]-	209.06284	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe