CID 135949426

Schembl3737441

Structural Information

Molecular Formula
C23H32N4O6S2
SMILES
CC(C)CCC1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)C3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4CCC4)C
InChI
InChI=1S/C23H32N4O6S2/c1-14(2)10-11-23(3)13-27(16-6-5-7-16)22(29)19(20(23)28)21-24-17-9-8-15(25-34(4,30)31)12-18(17)35(32,33)26-21/h8-9,12,14,16,25,28H,5-7,10-11,13H2,1-4H3,(H,24,26)
InChIKey
XLKQWBFTCKFXAH-UHFFFAOYSA-N
Compound name
N-[3-[1-cyclobutyl-4-hydroxy-3-methyl-3-(3-methylbutyl)-6-oxo-2H-pyridin-5-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

524.17633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.18361 217.2
[M+Na]+ 547.16555 218.5
[M-H]- 523.16905 217.2
[M+NH4]+ 542.21015 215.3
[M+K]+ 563.13949 216.4
[M+H-H2O]+ 507.17359 203.2
[M+HCOO]- 569.17453 214.4
[M+CH3COO]- 583.19018 242.3
[M+Na-2H]- 545.15100 217.8
[M]+ 524.17578 226.5
[M]- 524.17688 226.5
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