CID 481329

{2-hydroxy-3-[1-(phenylsulfonyl)imidazol-2-yl]propyl}(2-methylpropyl)(phenylsulfonyl)amine

Structural Information

Molecular Formula
C22H27N3O5S2
SMILES
CC(C)CN(CC(CC1=NC=CN1S(=O)(=O)C2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H27N3O5S2/c1-18(2)16-24(31(27,28)20-9-5-3-6-10-20)17-19(26)15-22-23-13-14-25(22)32(29,30)21-11-7-4-8-12-21/h3-14,18-19,26H,15-17H2,1-2H3
InChIKey
YMYANYMQIIXUHZ-UHFFFAOYSA-N
Compound name
N-[3-[1-(benzenesulfonyl)imidazol-2-yl]-2-hydroxypropyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.13922 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.14650 211.4
[M+Na]+ 500.12844 215.5
[M-H]- 476.13194 217.8
[M+NH4]+ 495.17304 217.6
[M+K]+ 516.10238 210.9
[M+H-H2O]+ 460.13648 202.9
[M+HCOO]- 522.13742 219.0
[M+CH3COO]- 536.15307 230.9
[M+Na-2H]- 498.11389 212.1
[M]+ 477.13867 216.5
[M]- 477.13977 216.5
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.