CID 375368

Nsc655034

Structural Information

Molecular Formula
C20H17N3O5S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C20H17N3O5S2/c21-19(24)14-6-10-16(11-7-14)29(26,17-12-8-15(9-13-17)20(22)25)23-30(27,28)18-4-2-1-3-5-18/h1-13H,(H2,21,24)(H2,22,25)
InChIKey
IGHXXGQHMGYMAY-UHFFFAOYSA-N
Compound name
4-[N-(benzenesulfonyl)-S-(4-carbamoylphenyl)sulfonimidoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.06097 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.06825 201.3
[M+Na]+ 466.05019 206.3
[M-H]- 442.05369 209.9
[M+NH4]+ 461.09479 208.7
[M+K]+ 482.02413 200.0
[M+H-H2O]+ 426.05823 191.8
[M+HCOO]- 488.05917 214.1
[M+CH3COO]- 502.07482 230.6
[M+Na-2H]- 464.03564 205.4
[M]+ 443.06042 201.4
[M]- 443.06152 201.4
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.