CID 16227820

6-chloro-7-(piperazine-1-sulfonyl)-3,4-dihydro-2h-1,4-benzoxazin-3-one hydrochloride

Structural Information

Molecular Formula
C12H14ClN3O4S
SMILES
C1CN(CCN1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl
InChI
InChI=1S/C12H14ClN3O4S/c13-8-5-9-10(20-7-12(17)15-9)6-11(8)21(18,19)16-3-1-14-2-4-16/h5-6,14H,1-4,7H2,(H,15,17)
InChIKey
SLQBRTPABSYODC-UHFFFAOYSA-N
Compound name
6-chloro-7-piperazin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.03937 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04665 169.9
[M+Na]+ 354.02859 177.0
[M-H]- 330.03209 170.6
[M+NH4]+ 349.07319 178.9
[M+K]+ 370.00253 171.8
[M+H-H2O]+ 314.03663 162.7
[M+HCOO]- 376.03757 170.0
[M+CH3COO]- 390.05322 177.9
[M+Na-2H]- 352.01404 173.1
[M]+ 331.03882 167.0
[M]- 331.03992 167.0
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.