CID 135410988

Chembl384446

Structural Information

Molecular Formula
C26H32N6O6S2
SMILES
CC(C)CCN1C2=C(C=CC=N2)C(=C(C1=O)C3=NS(=O)(=O)C4=C(N3)C=CC(=C4)NS(=O)(=O)NC5CCCCC5)O
InChI
InChI=1S/C26H32N6O6S2/c1-16(2)12-14-32-25-19(9-6-13-27-25)23(33)22(26(32)34)24-28-20-11-10-18(15-21(20)39(35,36)31-24)30-40(37,38)29-17-7-4-3-5-8-17/h6,9-11,13,15-17,29-30,33H,3-5,7-8,12,14H2,1-2H3,(H,28,31)
InChIKey
SCATXBLROZYITI-UHFFFAOYSA-N
Compound name
3-[7-(cyclohexylsulfamoylamino)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]-4-hydroxy-1-(3-methylbutyl)-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

588.1825 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.18978 225.5
[M+Na]+ 611.17172 229.6
[M-H]- 587.17522 226.4
[M+NH4]+ 606.21632 225.0
[M+K]+ 627.14566 222.3
[M+H-H2O]+ 571.17976 216.4
[M+HCOO]- 633.18070 223.9
[M+CH3COO]- 647.19635 227.9
[M+Na-2H]- 609.15717 232.1
[M]+ 588.18195 225.7
[M]- 588.18305 225.7
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.