CID 481374

(4-{(cyclopentylmethyl)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxybutyl)(2-methylpropyl)(phenylsulfonyl)amine

Structural Information

Molecular Formula
C26H38N2O6S2
SMILES
CC(C)CN(CC(CCN(CC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)O)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H38N2O6S2/c1-21(2)18-28(36(33,34)25-10-4-3-5-11-25)20-24(30)16-17-27(19-22-8-6-7-9-22)35(31,32)26-14-12-23(29)13-15-26/h3-5,10-15,21-22,24,29-30H,6-9,16-20H2,1-2H3
InChIKey
MUJXKJSLDVDOGY-UHFFFAOYSA-N
Compound name
N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]-N-(cyclopentylmethyl)-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.2171 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.22438 225.7
[M+Na]+ 561.20632 224.0
[M-H]- 537.20982 232.2
[M+NH4]+ 556.25092 231.0
[M+K]+ 577.18026 221.0
[M+H-H2O]+ 521.21436 217.5
[M+HCOO]- 583.21530 231.6
[M+CH3COO]- 597.23095 245.9
[M+Na-2H]- 559.19177 224.4
[M]+ 538.21655 228.8
[M]- 538.21765 228.8
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.