CID 3011162

2,3a-dihydro-1h-thiazolo[2,3-c][1,4]benzoxazepine-4,10-dione

Structural Information

Molecular Formula
C11H9NO3S
SMILES
C1CSC2N1C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C11H9NO3S/c13-9-7-3-1-2-4-8(7)15-11(14)10-12(9)5-6-16-10/h1-4,10H,5-6H2
InChIKey
DFENXWZLMQCNMA-UHFFFAOYSA-N
Compound name
2,3a-dihydro-1H-[1,3]thiazolo[2,3-c][1,4]benzoxazepine-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.03032 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03760 146.9
[M+Na]+ 258.01954 154.8
[M-H]- 234.02304 153.1
[M+NH4]+ 253.06414 165.5
[M+K]+ 273.99348 156.1
[M+H-H2O]+ 218.02758 142.4
[M+HCOO]- 280.02852 160.5
[M+CH3COO]- 294.04417 159.3
[M+Na-2H]- 256.00499 150.1
[M]+ 235.02977 146.0
[M]- 235.03087 146.0
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.