CID 29085

18464-50-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

C1C2=CC=CC=C2OC(=S)N1CC(=O)N

InChI

InChI=1S/C10H10N2O2S/c11-9(13)6-12-5-7-3-1-2-4-8(7)14-10(12)15/h1-4H,5-6H2,(H2,11,13)

InChIKey

PTEOKRZZXJSXLJ-UHFFFAOYSA-N

Compound name

2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.0463 Da
Monoisotopic Mass: 0.8
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]+	223.053576	145.2
[M+Na]+	245.035518	153.0
[M-H]-	221.039024	148.4
[M+NH4]+	240.080123	161.9
[M+K]+	261.009458	150.3
[M+H-H2O]+	205.043560	138.6
[M+HCOO]-	267.044501	159.3
[M+CH3COO]-	281.060151	188.7
[M+Na-2H]-	243.020966	149.0
[M]+	222.04575142	144.7
[M]-	222.04684858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe