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]+ 392.023296 180.3
[M+Na]+ 414.005238 190.5
[M-H]- 390.008744 185.1
[M+NH4]+ 409.049843 191.0
[M+K]+ 429.979178 184.6
[M+H-H2O]+ 374.013280 173.4
[M+HCOO]- 436.014221 187.1
[M+CH3COO]- 450.029871 215.8
[M+Na-2H]- 411.990686 182.5
[M]+ 391.01547142 188.8
[M]- 391.01656858 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.