CID 481316

{(2s)-4-[(cyclopentylmethyl)(1,3-thiazol-2-ylsulfonyl)amino]-2-hydroxybutyl}[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C24H37N3O6S3
SMILES
CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)C2=NC=CS2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H37N3O6S3/c1-19(2)16-27(35(29,30)23-10-8-22(33-3)9-11-23)18-21(28)12-14-26(17-20-6-4-5-7-20)36(31,32)24-25-13-15-34-24/h8-11,13,15,19-21,28H,4-7,12,14,16-18H2,1-3H3/t21-/m0/s1
InChIKey
FTODBOPLGCEYAR-NRFANRHFSA-N
Compound name
N-(cyclopentylmethyl)-N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]-1,3-thiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.18445 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.19173 232.3
[M+Na]+ 582.17367 232.2
[M-H]- 558.17717 238.9
[M+NH4]+ 577.21827 238.5
[M+K]+ 598.14761 229.1
[M+H-H2O]+ 542.18171 225.6
[M+HCOO]- 604.18265 234.8
[M+CH3COO]- 618.19830 247.8
[M+Na-2H]- 580.15912 231.0
[M]+ 559.18390 237.7
[M]- 559.18500 237.7
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.