CID 135964621

N-(3-{2-(3,3-dimethylbutyl)-6-[(2,2-dimethylpropyl)(methyl)amino]-5-hydroxy-3-oxo-2,3-dihydropyridazin-4-yl}-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl)methanesulfonamide

Structural Information

Molecular Formula
C24H36N6O6S2
SMILES
CC(C)(C)CCN1C(=O)C(=C(C(=N1)N(C)CC(C)(C)C)O)C2=NS(=O)(=O)C3=C(N2)C=CC(=C3)NS(=O)(=O)C
InChI
InChI=1S/C24H36N6O6S2/c1-23(2,3)11-12-30-22(32)18(19(31)21(26-30)29(7)14-24(4,5)6)20-25-16-10-9-15(27-37(8,33)34)13-17(16)38(35,36)28-20/h9-10,13,27,31H,11-12,14H2,1-8H3,(H,25,28)
InChIKey
RZMNSXMMIGQDQG-UHFFFAOYSA-N
Compound name
N-[3-[2-(3,3-dimethylbutyl)-6-[2,2-dimethylpropyl(methyl)amino]-5-hydroxy-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

568.21375 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.22103 231.3
[M+Na]+ 591.20297 236.9
[M-H]- 567.20647 231.3
[M+NH4]+ 586.24757 232.4
[M+K]+ 607.17691 231.6
[M+H-H2O]+ 551.21101 224.0
[M+HCOO]- 613.21195 231.4
[M+CH3COO]- 627.22760 254.0
[M+Na-2H]- 589.18842 237.6
[M]+ 568.21320 237.9
[M]- 568.21430 237.9
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.