CID 42946622

4-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)-n-(1-methoxypropan-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C14H15Cl2N3O4S
SMILES
CC(COC)NS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl
InChI
InChI=1S/C14H15Cl2N3O4S/c1-9(8-23-2)18-24(21,22)11-5-3-10(4-6-11)19-14(20)13(16)12(15)7-17-19/h3-7,9,18H,8H2,1-2H3
InChIKey
WDYUYBZHBTUSFH-UHFFFAOYSA-N
Compound name
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.01602 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.02330 180.3
[M+Na]+ 414.00524 190.5
[M-H]- 390.00874 185.1
[M+NH4]+ 409.04984 191.0
[M+K]+ 429.97918 184.6
[M+H-H2O]+ 374.01328 173.4
[M+HCOO]- 436.01422 187.1
[M+CH3COO]- 450.02987 215.8
[M+Na-2H]- 411.99069 182.5
[M]+ 391.01547 188.8
[M]- 391.01657 188.8
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

No patent data available for this compound.