CID 481384

N-[4-[[4-(benzenesulfonyl)-3-thienyl]amino]-3-hydroxy-butyl]-n-isobutyl-benzenesulfonamide

Structural Information

Molecular Formula
C24H30N2O5S3
SMILES
CC(C)CN(CCC(CNC1=CSC=C1S(=O)(=O)C2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H30N2O5S3/c1-19(2)16-26(34(30,31)22-11-7-4-8-12-22)14-13-20(27)15-25-23-17-32-18-24(23)33(28,29)21-9-5-3-6-10-21/h3-12,17-20,25,27H,13-16H2,1-2H3
InChIKey
JZJUZSSANGHZQO-UHFFFAOYSA-N
Compound name
N-[4-[[4-(benzenesulfonyl)thiophen-3-yl]amino]-3-hydroxybutyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.1317 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.13898 223.5
[M+Na]+ 545.12092 225.3
[M-H]- 521.12442 229.9
[M+NH4]+ 540.16552 229.8
[M+K]+ 561.09486 218.6
[M+H-H2O]+ 505.12896 215.3
[M+HCOO]- 567.12990 228.0
[M+CH3COO]- 581.14555 240.2
[M+Na-2H]- 543.10637 224.9
[M]+ 522.13115 226.8
[M]- 522.13225 226.8
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.