CID 375134

Nsc654267

Structural Information

Molecular Formula
C19H18Cl2N2O9S2
SMILES
CN(C=O)S(=O)(=O)C1=CC(=CC(=C1OC)C(=O)C2=C(C(=CC(=C2)Cl)S(=O)(=O)N(C)C=O)OC)Cl
InChI
InChI=1S/C19H18Cl2N2O9S2/c1-22(9-24)33(27,28)15-7-11(20)5-13(18(15)31-3)17(26)14-6-12(21)8-16(19(14)32-4)34(29,30)23(2)10-25/h5-10H,1-4H3
InChIKey
OXOPAFBWCCPJIJ-UHFFFAOYSA-N
Compound name
N-[5-chloro-3-[5-chloro-3-[formyl(methyl)sulfamoyl]-2-methoxybenzoyl]-2-methoxyphenyl]sulfonyl-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.9831 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.99038 210.6
[M+Na]+ 574.97232 217.2
[M-H]- 550.97582 220.0
[M+NH4]+ 570.01692 217.6
[M+K]+ 590.94626 214.6
[M+H-H2O]+ 534.98036 204.7
[M+HCOO]- 596.98130 215.1
[M+CH3COO]- 610.99695 250.2
[M+Na-2H]- 572.95777 212.7
[M]+ 551.98255 226.5
[M]- 551.98365 226.5
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.