CID 481360

N-(benzenesulfonyl)-n'-(4-hydroxyphenyl)sulfonyl-n,n'-diisobutyl-2-oxo-propanediamide

Structural Information

Molecular Formula
C23H28N2O8S2
SMILES
CC(C)CN(C(=O)C(=O)C(=O)N(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H28N2O8S2/c1-16(2)14-24(34(30,31)19-8-6-5-7-9-19)22(28)21(27)23(29)25(15-17(3)4)35(32,33)20-12-10-18(26)11-13-20/h5-13,16-17,26H,14-15H2,1-4H3
InChIKey
SLCWPNGKJMPTFL-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-N'-(4-hydroxyphenyl)sulfonyl-N,N'-bis(2-methylpropyl)-2-oxopropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.1287 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.13598 216.0
[M+Na]+ 547.11792 215.4
[M-H]- 523.12142 221.2
[M+NH4]+ 542.16252 220.2
[M+K]+ 563.09186 214.7
[M+H-H2O]+ 507.12596 207.2
[M+HCOO]- 569.12690 222.4
[M+CH3COO]- 583.14255 246.2
[M+Na-2H]- 545.10337 215.6
[M]+ 524.12815 222.5
[M]- 524.12925 222.5
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.