CID 85469552

1622458-32-5

Structural Information

Molecular Formula
C17H19N5O4S
SMILES
CC(C)(COC1=CC=CC2=C1C(=NS(=O)(=O)N2)N)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H19N5O4S/c1-17(2,20-16(23)11-6-8-19-9-7-11)10-26-13-5-3-4-12-14(13)15(18)22-27(24,25)21-12/h3-9,21H,10H2,1-2H3,(H2,18,22)(H,20,23)
InChIKey
GZBHFJQHHGVGJE-UHFFFAOYSA-N
Compound name
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

389.11578 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12306 187.6
[M+Na]+ 412.10500 195.0
[M-H]- 388.10850 189.4
[M+NH4]+ 407.14960 196.6
[M+K]+ 428.07894 189.6
[M+H-H2O]+ 372.11304 179.0
[M+HCOO]- 434.11398 198.9
[M+CH3COO]- 448.12963 218.4
[M+Na-2H]- 410.09045 194.2
[M]+ 389.11523 188.7
[M]- 389.11633 188.7
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