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 145.2
[M+Na]+ 245.03552 153.0
[M-H]- 221.03902 148.4
[M+NH4]+ 240.08012 161.9
[M+K]+ 261.00946 150.3
[M+H-H2O]+ 205.04356 138.6
[M+HCOO]- 267.04450 159.3
[M+CH3COO]- 281.06015 188.7
[M+Na-2H]- 243.02097 149.0
[M]+ 222.04575 144.7
[M]- 222.04685 144.7
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

patents stripe