CID 481362

2-[3-[benzenesulfonyl(isobutyl)amino]-2,3-dioxo-propanoyl]-n-tert-butyl-benzamide

Structural Information

Molecular Formula
C24H28N2O6S
SMILES
CC(C)CN(C(=O)C(=O)C(=O)C1=CC=CC=C1C(=O)NC(C)(C)C)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H28N2O6S/c1-16(2)15-26(33(31,32)17-11-7-6-8-12-17)23(30)21(28)20(27)18-13-9-10-14-19(18)22(29)25-24(3,4)5/h6-14,16H,15H2,1-5H3,(H,25,29)
InChIKey
AALPXQTZHUPCSB-UHFFFAOYSA-N
Compound name
2-[3-[benzenesulfonyl(2-methylpropyl)amino]-2,3-dioxopropanoyl]-N-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1668 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.17408 208.4
[M+Na]+ 495.15602 209.5
[M-H]- 471.15952 215.0
[M+NH4]+ 490.20062 215.4
[M+K]+ 511.12996 208.6
[M+H-H2O]+ 455.16406 199.8
[M+HCOO]- 517.16500 220.8
[M+CH3COO]- 531.18065 240.5
[M+Na-2H]- 493.14147 207.2
[M]+ 472.16625 213.3
[M]- 472.16735 213.3
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.