CID 293140

Nsc159462

Structural Information

Molecular Formula
C20H26N4O8S2
SMILES
C1=CC(=CC=C1NC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCO)S(=O)(=O)NCCO
InChI
InChI=1S/C20H26N4O8S2/c25-13-11-21-33(29,30)17-5-1-15(2-6-17)23-19(27)9-10-20(28)24-16-3-7-18(8-4-16)34(31,32)22-12-14-26/h1-8,21-22,25-26H,9-14H2,(H,23,27)(H,24,28)
InChIKey
SPMSGHNMXPXIFB-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(2-hydroxyethylsulfamoyl)phenyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1192 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.12648 210.0
[M+Na]+ 537.10842 209.3
[M-H]- 513.11192 210.9
[M+NH4]+ 532.15302 212.3
[M+K]+ 553.08236 204.1
[M+H-H2O]+ 497.11646 200.2
[M+HCOO]- 559.11740 219.3
[M+CH3COO]- 573.13305 240.8
[M+Na-2H]- 535.09387 215.3
[M]+ 514.11865 211.8
[M]- 514.11975 211.8
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.