CID 374718

Nsc652910

Structural Information

Molecular Formula
C19H24N2O7S2
SMILES
CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C)OC
InChI
InChI=1S/C19H24N2O7S2/c1-20(2)29(23,24)17-11-13(7-9-15(17)27-5)19(22)14-8-10-16(28-6)18(12-14)30(25,26)21(3)4/h7-12H,1-6H3
InChIKey
UMEDNDLPPNBQHC-UHFFFAOYSA-N
Compound name
5-[3-(dimethylsulfamoyl)-4-methoxybenzoyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1025 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10978 201.6
[M+Na]+ 479.09172 206.7
[M-H]- 455.09522 210.0
[M+NH4]+ 474.13632 210.7
[M+K]+ 495.06566 205.1
[M+H-H2O]+ 439.09976 192.6
[M+HCOO]- 501.10070 213.9
[M+CH3COO]- 515.11635 238.3
[M+Na-2H]- 477.07717 203.6
[M]+ 456.10195 212.0
[M]- 456.10305 212.0
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.