CID 506494

1-[(4-chlorophenyl)methyl]-4-methoxy-2$l^{6},1,3-benzothiadiazine 2,2-dioxide

Structural Information

Molecular Formula
C15H13ClN2O3S
SMILES
COC1=NS(=O)(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2O3S/c1-21-15-13-4-2-3-5-14(13)18(22(19,20)17-15)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKey
RJMNUQDKGYXCKE-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-methoxy-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.03354 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04082 169.9
[M+Na]+ 359.02276 182.1
[M-H]- 335.02626 175.6
[M+NH4]+ 354.06736 185.7
[M+K]+ 374.99670 176.0
[M+H-H2O]+ 319.03080 162.2
[M+HCOO]- 381.03174 181.0
[M+CH3COO]- 395.04739 181.7
[M+Na-2H]- 357.00821 175.2
[M]+ 336.03299 176.6
[M]- 336.03409 176.6
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.