CID 361065

Nsc623869

Structural Information

Molecular Formula
C17H14N4O8S2
SMILES
C1=CC(=CC=C1NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N
InChI
InChI=1S/C17H14N4O8S2/c18-30(26,27)11-5-1-9(2-6-11)20-15(23)13-14(22)17(25)21(16(13)24)10-3-7-12(8-4-10)31(19,28)29/h1-8,13H,(H,20,23)(H2,18,26,27)(H2,19,28,29)
InChIKey
ZRNXDSBSBJTNSF-UHFFFAOYSA-N
Compound name
2,4,5-trioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.0253 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.03258 203.4
[M+Na]+ 489.01452 209.5
[M-H]- 465.01802 210.6
[M+NH4]+ 484.05912 210.1
[M+K]+ 504.98846 204.5
[M+H-H2O]+ 449.02256 196.0
[M+HCOO]- 511.02350 214.1
[M+CH3COO]- 525.03915 233.4
[M+Na-2H]- 486.99997 205.1
[M]+ 466.02475 204.6
[M]- 466.02585 204.6
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.