CID 506495

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

Structural Information

Molecular Formula
C16H15ClN2O3S
SMILES
CCN1C(=O)C2=CC=CC=C2N(S1(=O)=O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H15ClN2O3S/c1-2-18-16(20)14-5-3-4-6-15(14)19(23(18,21)22)11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKey
HORMCYCRRFAFAU-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-ethyl-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.0492 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05648 174.0
[M+Na]+ 373.03842 185.7
[M-H]- 349.04192 179.5
[M+NH4]+ 368.08302 189.2
[M+K]+ 389.01236 179.1
[M+H-H2O]+ 333.04646 166.5
[M+HCOO]- 395.04740 183.5
[M+CH3COO]- 409.06305 185.2
[M+Na-2H]- 371.02387 177.3
[M]+ 350.04865 179.6
[M]- 350.04975 179.6
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.