CID 3087369

114149-44-9

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
CC1CC(=O)NN=C1C2=CC3=C(CC(C3)NS(=O)(=O)C4=CC=CC=C4)C=C2
InChI
InChI=1S/C20H21N3O3S/c1-13-9-19(24)21-22-20(13)15-8-7-14-11-17(12-16(14)10-15)23-27(25,26)18-5-3-2-4-6-18/h2-8,10,13,17,23H,9,11-12H2,1H3,(H,21,24)
InChIKey
CBDKKURJIOWUAX-UHFFFAOYSA-N
Compound name
N-[5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.13037 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 187.7
[M+Na]+ 406.11959 199.4
[M+NH4]+ 401.16419 194.3
[M+K]+ 422.09353 193.0
[M-H]- 382.12309 191.7
[M+Na-2H]- 404.10504 194.2
[M]+ 383.12982 190.8
[M]- 383.13092 190.8
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