CID 366056

Nsc634231

Structural Information

Molecular Formula
C17H20N2O5S2
SMILES
CN(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C)S(=O)(=O)C
InChI
InChI=1S/C17H20N2O5S2/c1-18(25(3,21)22)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(2)26(4,23)24/h5-12H,1-4H3
InChIKey
FCKGZRVIHQYHGA-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[4-[methyl(methylsulfonyl)amino]benzoyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.08136 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.08864 188.8
[M+Na]+ 419.07058 194.4
[M-H]- 395.07408 197.3
[M+NH4]+ 414.11518 200.3
[M+K]+ 435.04452 191.5
[M+H-H2O]+ 379.07862 180.3
[M+HCOO]- 441.07956 201.6
[M+CH3COO]- 455.09521 225.7
[M+Na-2H]- 417.05603 191.7
[M]+ 396.08081 195.2
[M]- 396.08191 195.2
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.