CID 261218

Nsc93183

Structural Information

Molecular Formula
C28H22N8O6S2
SMILES
C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5
InChI
InChI=1S/C28H22N8O6S2/c37-25(33-21-7-11-23(12-8-21)43(39,40)35-27-29-15-1-16-30-27)19-3-5-20(6-4-19)26(38)34-22-9-13-24(14-10-22)44(41,42)36-28-31-17-2-18-32-28/h1-18H,(H,33,37)(H,34,38)(H,29,30,35)(H,31,32,36)
InChIKey
SRSYPSMVQQTDGT-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.11035 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.11763 230.4
[M+Na]+ 653.09957 233.1
[M-H]- 629.10307 239.3
[M+NH4]+ 648.14417 223.8
[M+K]+ 669.07351 225.4
[M+H-H2O]+ 613.10761 218.3
[M+HCOO]- 675.10855 239.3
[M+CH3COO]- 689.12420 263.0
[M+Na-2H]- 651.08502 242.5
[M]+ 630.10980 230.2
[M]- 630.11090 230.2
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.