CID 3087368

114149-42-7

Structural Information

Molecular Formula
C20H21N3O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2CC3=C(C2)C=C(C=C3)C4=NNC(=O)CC4
InChI
InChI=1S/C20H21N3O4S/c1-27-17-4-6-18(7-5-17)28(25,26)23-16-11-13-2-3-14(10-15(13)12-16)19-8-9-20(24)22-21-19/h2-7,10,16,23H,8-9,11-12H2,1H3,(H,22,24)
InChIKey
BSXFYFMTUPKQIQ-UHFFFAOYSA-N
Compound name
4-methoxy-N-[5-(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

399.12527 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.13255 190.6
[M+Na]+ 422.11449 201.8
[M+NH4]+ 417.15909 196.6
[M+K]+ 438.08843 195.9
[M-H]- 398.11799 194.2
[M+Na-2H]- 420.09994 196.8
[M]+ 399.12472 193.4
[M]- 399.12582 193.4
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