CID 506507

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

Structural Information

Molecular Formula
C16H14Cl2N2O3S
SMILES
CCOC1=NS(=O)(=O)N(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O3S/c1-2-23-16-12-5-3-4-6-15(12)20(24(21,22)19-16)10-11-7-8-13(17)14(18)9-11/h3-9H,2,10H2,1H3
InChIKey
YYLWRTKPMHMQKX-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methyl]-4-ethoxy-2lambda6,1,3-benzothiadiazine 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.01022 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.01750 177.6
[M+Na]+ 406.99944 190.2
[M-H]- 383.00294 182.9
[M+NH4]+ 402.04404 192.2
[M+K]+ 422.97338 183.4
[M+H-H2O]+ 367.00748 170.6
[M+HCOO]- 429.00842 183.4
[M+CH3COO]- 443.02407 188.6
[M+Na-2H]- 404.98489 181.2
[M]+ 384.00967 186.1
[M]- 384.01077 186.1
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.