CID 506519

1h-2,1,3-benzothiadiazin-4(3h)-one, 3-butyl-1-[(4-methoxyphenyl)methyl]-, 2,2-dioxide

Structural Information

Molecular Formula
C19H22N2O4S
SMILES
CCCCN1C(=O)C2=CC=CC=C2N(S1(=O)=O)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H22N2O4S/c1-3-4-13-20-19(22)17-7-5-6-8-18(17)21(26(20,23)24)14-15-9-11-16(25-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKey
WVRPESQPLGZSNM-UHFFFAOYSA-N
Compound name
3-butyl-1-[(4-methoxyphenyl)methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.13004 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13732 185.2
[M+Na]+ 397.11926 194.6
[M-H]- 373.12276 190.1
[M+NH4]+ 392.16386 198.3
[M+K]+ 413.09320 189.3
[M+H-H2O]+ 357.12730 176.2
[M+HCOO]- 419.12824 198.4
[M+CH3COO]- 433.14389 215.8
[M+Na-2H]- 395.10471 187.6
[M]+ 374.12949 191.1
[M]- 374.13059 191.1
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.