CID 375420

Nsc655140

Structural Information

Molecular Formula
C19H20N2O9S2
SMILES
CN(C=O)S(=O)(=O)C1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C=O)OC
InChI
InChI=1S/C19H20N2O9S2/c1-20(11-22)31(25,26)17-9-13(5-7-15(17)29-3)19(24)14-6-8-16(30-4)18(10-14)32(27,28)21(2)12-23/h5-12H,1-4H3
InChIKey
YFPCKRSWPBRBBJ-UHFFFAOYSA-N
Compound name
N-[5-[3-[formyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2-methoxyphenyl]sulfonyl-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.06104 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.06832 205.7
[M+Na]+ 507.05026 210.3
[M-H]- 483.05376 213.9
[M+NH4]+ 502.09486 213.0
[M+K]+ 523.02420 209.1
[M+H-H2O]+ 467.05830 196.4
[M+HCOO]- 529.05924 218.7
[M+CH3COO]- 543.07489 241.2
[M+Na-2H]- 505.03571 208.8
[M]+ 484.06049 217.3
[M]- 484.06159 217.3
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.