CID 9804012

N-[4-[[4-(dimethylsulfamoylamino)phenyl]sulfonylamino]phenyl]-2,2-dimethyl-propanamide

Structural Information

Molecular Formula
C19H26N4O5S2
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)N(C)C
InChI
InChI=1S/C19H26N4O5S2/c1-19(2,3)18(24)20-14-6-8-15(9-7-14)21-29(25,26)17-12-10-16(11-13-17)22-30(27,28)23(4)5/h6-13,21-22H,1-5H3,(H,20,24)
InChIKey
CHQYEGUVXOUXJD-UHFFFAOYSA-N
Compound name
N-[4-[[4-(dimethylsulfamoylamino)phenyl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.13446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.14174 203.2
[M+Na]+ 477.12368 205.8
[M-H]- 453.12718 209.2
[M+NH4]+ 472.16828 210.8
[M+K]+ 493.09762 201.9
[M+H-H2O]+ 437.13172 193.9
[M+HCOO]- 499.13266 215.0
[M+CH3COO]- 513.14831 237.9
[M+Na-2H]- 475.10913 209.2
[M]+ 454.13391 206.3
[M]- 454.13501 206.3
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.