CID 227581

5444-89-3

Structural Information

Molecular Formula
C17H20N6O7S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C17H20N6O7S2/c1-11(24)18-13-3-7-15(8-4-13)31(27,28)22-20-17(26)21-23-32(29,30)16-9-5-14(6-10-16)19-12(2)25/h3-10,22-23H,1-2H3,(H,18,24)(H,19,25)(H2,20,21,26)
InChIKey
GQVKGVLYWKCCFX-UHFFFAOYSA-N
Compound name
N-[4-[[[(4-acetamidophenyl)sulfonylamino]carbamoylamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.0835 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.09078 202.4
[M+Na]+ 507.07272 202.6
[M-H]- 483.07622 206.4
[M+NH4]+ 502.11732 206.6
[M+K]+ 523.04666 198.9
[M+H-H2O]+ 467.08076 192.2
[M+HCOO]- 529.08170 216.1
[M+CH3COO]- 543.09735 243.7
[M+Na-2H]- 505.05817 209.8
[M]+ 484.08295 202.4
[M]- 484.08405 202.4
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.