CID 29085

2-thioxo-2h-1,3-benzoxazine-3(4h)-acetamide

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

0
Patents

222.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 146.1
[M+Na]+ 245.03552 157.5
[M+NH4]+ 240.08012 154.2
[M+K]+ 261.00946 150.2
[M-H]- 221.03902 149.3
[M+Na-2H]- 243.02097 150.0
[M]+ 222.04575 148.9
[M]- 222.04685 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.