CID 506500

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

Structural Information

Molecular Formula
C17H17ClN2O3S
SMILES
CC(C)OC1=NS(=O)(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2O3S/c1-12(2)23-17-15-5-3-4-6-16(15)20(24(21,22)19-17)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3
InChIKey
AOQGKHQGOCMDFW-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-propan-2-yloxy-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07213 177.7
[M+Na]+ 387.05407 188.6
[M-H]- 363.05757 183.2
[M+NH4]+ 382.09867 192.3
[M+K]+ 403.02801 182.7
[M+H-H2O]+ 347.06211 169.9
[M+HCOO]- 409.06305 187.2
[M+CH3COO]- 423.07870 188.6
[M+Na-2H]- 385.03952 181.2
[M]+ 364.06430 184.7
[M]- 364.06540 184.7
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.