CID 44628330

1093200-92-0

Structural Information

Molecular Formula
C15H22N4O4S
SMILES
CCCNC(=O)C(C)(C)COC1=CC=CC2=C1C(=NS(=O)(=O)N2)N
InChI
InChI=1S/C15H22N4O4S/c1-4-8-17-14(20)15(2,3)9-23-11-7-5-6-10-12(11)13(16)19-24(21,22)18-10/h5-7,18H,4,8-9H2,1-3H3,(H2,16,19)(H,17,20)
InChIKey
BLUFUTBSOUBUDN-UHFFFAOYSA-N
Compound name
3-[(4-amino-2,2-dioxo-1H-2lambda6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethyl-N-propylpropanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

246
Patents

354.13617 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14345 179.3
[M+Na]+ 377.12539 186.0
[M-H]- 353.12889 178.9
[M+NH4]+ 372.16999 191.6
[M+K]+ 393.09933 181.7
[M+H-H2O]+ 337.13343 172.5
[M+HCOO]- 399.13437 190.9
[M+CH3COO]- 413.15002 213.4
[M+Na-2H]- 375.11084 183.9
[M]+ 354.13562 181.7
[M]- 354.13672 181.7
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

patents stripe