CID 481174

N-tert-butyl-2-[2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]benzamide

Structural Information

Molecular Formula
C25H36N2O5S
SMILES
CC(C)CN(CC(CC1=CC=CC=C1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C25H36N2O5S/c1-18(2)16-27(33(30,31)22-13-11-21(32-6)12-14-22)17-20(28)15-19-9-7-8-10-23(19)24(29)26-25(3,4)5/h7-14,18,20,28H,15-17H2,1-6H3,(H,26,29)
InChIKey
GMWFBSORVWRRCO-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.2345 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.24178 214.5
[M+Na]+ 499.22372 215.4
[M-H]- 475.22722 219.6
[M+NH4]+ 494.26832 221.5
[M+K]+ 515.19766 213.4
[M+H-H2O]+ 459.23176 205.6
[M+HCOO]- 521.23270 226.2
[M+CH3COO]- 535.24835 241.6
[M+Na-2H]- 497.20917 213.1
[M]+ 476.23395 220.2
[M]- 476.23505 220.2
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.