CID 481337

2-[3-[benzenesulfonyl(isobutyl)amino]-2-hydroxy-propyl]-n-tert-butyl-benzamide

Structural Information

Molecular Formula
C24H34N2O4S
SMILES
CC(C)CN(CC(CC1=CC=CC=C1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H34N2O4S/c1-18(2)16-26(31(29,30)21-12-7-6-8-13-21)17-20(27)15-19-11-9-10-14-22(19)23(28)25-24(3,4)5/h6-14,18,20,27H,15-17H2,1-5H3,(H,25,28)
InChIKey
QETNYPYYRLHMJB-UHFFFAOYSA-N
Compound name
2-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-N-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.22394 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23122 207.7
[M+Na]+ 469.21316 208.6
[M-H]- 445.21666 212.7
[M+NH4]+ 464.25776 215.8
[M+K]+ 485.18710 205.8
[M+H-H2O]+ 429.22120 198.9
[M+HCOO]- 491.22214 219.6
[M+CH3COO]- 505.23779 235.3
[M+Na-2H]- 467.19861 207.0
[M]+ 446.22339 211.2
[M]- 446.22449 211.2
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.