CID 506517

3-butyl-1-(4-methylbenzoyl)-2,2-dioxo-2$l^{6},1,3-benzothiadiazin-4-one

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CCCCN1C(=O)C2=CC=CC=C2N(S1(=O)=O)C(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H20N2O4S/c1-3-4-13-20-19(23)16-7-5-6-8-17(16)21(26(20,24)25)18(22)15-11-9-14(2)10-12-15/h5-12H,3-4,13H2,1-2H3
InChIKey
KXKZBSOPUZDGEP-UHFFFAOYSA-N
Compound name
3-butyl-1-(4-methylbenzoyl)-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.11438 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12166 184.0
[M+Na]+ 395.10360 193.5
[M-H]- 371.10710 189.0
[M+NH4]+ 390.14820 197.1
[M+K]+ 411.07754 188.1
[M+H-H2O]+ 355.11164 175.4
[M+HCOO]- 417.11258 196.3
[M+CH3COO]- 431.12823 215.4
[M+Na-2H]- 393.08905 185.5
[M]+ 372.11383 188.6
[M]- 372.11493 188.6
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.