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
5
Annotation Hits

0
References

218
Patents

354.13617 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.143446 179.3
[M+Na]+ 377.125388 186.0
[M-H]- 353.128894 178.9
[M+NH4]+ 372.169993 191.6
[M+K]+ 393.099328 181.7
[M+H-H2O]+ 337.133430 172.5
[M+HCOO]- 399.134371 190.9
[M+CH3COO]- 413.150021 213.4
[M+Na-2H]- 375.110836 183.9
[M]+ 354.13562142 181.7
[M]- 354.13671858 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