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 170.0
[M+Na]+ 354.02859 181.4
[M+NH4]+ 349.07319 175.7
[M+K]+ 370.00253 175.1
[M-H]- 330.03209 171.1
[M+Na-2H]- 352.01404 172.8
[M]+ 331.03882 172.3
[M]- 331.03992 172.3
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.