CID 506516

1h-2,1,3-benzothiadiazin-4(3h)-one, 3-butyl-1-(4-methoxybenzoyl)-, 2,2-dioxide

Structural Information

Molecular Formula
C19H20N2O5S
SMILES
CCCCN1C(=O)C2=CC=CC=C2N(S1(=O)=O)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H20N2O5S/c1-3-4-13-20-19(23)16-7-5-6-8-17(16)21(27(20,24)25)18(22)14-9-11-15(26-2)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKey
VCNXAUURRWAZDC-UHFFFAOYSA-N
Compound name
3-butyl-1-(4-methoxybenzoyl)-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.10928 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11656 187.0
[M+Na]+ 411.09850 196.1
[M-H]- 387.10200 191.9
[M+NH4]+ 406.14310 199.2
[M+K]+ 427.07244 191.5
[M+H-H2O]+ 371.10654 178.2
[M+HCOO]- 433.10748 199.4
[M+CH3COO]- 447.12313 217.6
[M+Na-2H]- 409.08395 188.8
[M]+ 388.10873 193.0
[M]- 388.10983 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.