CID 481344

4-[((cyclopentylmethyl){3-[(cyclopentylmethyl)(phenylsulfonyl)amino]-2-hydroxypropyl}amino)sulfonyl]phenol

Structural Information

Molecular Formula
C27H38N2O6S2
SMILES
C1CCC(C1)CN(CC(CN(CC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)O)O)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H38N2O6S2/c30-24-14-16-27(17-15-24)37(34,35)29(19-23-10-6-7-11-23)21-25(31)20-28(18-22-8-4-5-9-22)36(32,33)26-12-2-1-3-13-26/h1-3,12-17,22-23,25,30-31H,4-11,18-21H2
InChIKey
IIVXFQYGHMOUAU-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.2171 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.22438 227.8
[M+Na]+ 573.20632 225.9
[M-H]- 549.20982 237.6
[M+NH4]+ 568.25092 234.5
[M+K]+ 589.18026 223.3
[M+H-H2O]+ 533.21436 221.1
[M+HCOO]- 595.21530 234.5
[M+CH3COO]- 609.23095 244.8
[M+Na-2H]- 571.19177 225.9
[M]+ 550.21655 228.3
[M]- 550.21765 228.3
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.