CID 506498

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

Structural Information

Molecular Formula
C17H17ClN2O3S
SMILES
CCCOC1=NS(=O)(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2O3S/c1-2-11-23-17-15-5-3-4-6-16(15)20(24(21,22)19-17)12-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3
InChIKey
DOSJYUZFLVIGOV-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-propoxy-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.06485 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07213 178.5
[M+Na]+ 387.05407 189.8
[M-H]- 363.05757 183.8
[M+NH4]+ 382.09867 193.1
[M+K]+ 403.02801 183.3
[M+H-H2O]+ 347.06211 170.4
[M+HCOO]- 409.06305 189.0
[M+CH3COO]- 423.07870 189.4
[M+Na-2H]- 385.03952 182.8
[M]+ 364.06430 185.9
[M]- 364.06540 185.9
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.