CID 506493

1-[(4-chlorophenyl)methyl]-3-methyl-2,2-dioxo-2$l^{6},1,3-benzothiadiazin-4-one

Structural Information

Molecular Formula
C15H13ClN2O3S
SMILES
CN1C(=O)C2=CC=CC=C2N(S1(=O)=O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2O3S/c1-17-15(19)13-4-2-3-5-14(13)18(22(17,20)21)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKey
UWAGWLRHXYWEAK-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-methyl-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.03354 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04082 169.7
[M+Na]+ 359.02276 181.9
[M-H]- 335.02626 175.4
[M+NH4]+ 354.06736 185.5
[M+K]+ 374.99670 175.5
[M+H-H2O]+ 319.03080 162.4
[M+HCOO]- 381.03174 179.6
[M+CH3COO]- 395.04739 181.4
[M+Na-2H]- 357.00821 173.5
[M]+ 336.03299 174.9
[M]- 336.03409 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.