CID 224656

Usaf uctl-1766

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S

SMILES

C1=CC=C(C=C1)NC(=O)CSC(=O)N

InChI

InChI=1S/C9H10N2O2S/c10-9(13)14-6-8(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)

InChIKey

CEINNGQDMFZTJK-UHFFFAOYSA-N

Compound name

S-(2-anilino-2-oxoethyl) carbamothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 210.0463 Da
Monoisotopic Mass: 1.0
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]+	211.05358	144.6
[M+Na]+	233.03552	153.4
[M+NH4]+	228.08012	151.9
[M+K]+	249.00946	146.9
[M-H]-	209.03902	146.4
[M+Na-2H]-	231.02097	149.6
[M]+	210.04575	146.4
[M]-	210.04685	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe