CID 481277

((2s)-4-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxybutyl)[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C28H42N2O7S2
SMILES
CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C28H42N2O7S2/c1-22(2)19-30(39(34,35)28-15-11-26(37-4)12-16-28)21-24(31)17-18-29(20-23-7-5-6-8-23)38(32,33)27-13-9-25(36-3)10-14-27/h9-16,22-24,31H,5-8,17-21H2,1-4H3/t24-/m0/s1
InChIKey
OPJNHRSFFGTPMY-DEOSSOPVSA-N
Compound name
N-(cyclopentylmethyl)-N-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.24335 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.25063 237.0
[M+Na]+ 605.23257 235.1
[M-H]- 581.23607 244.8
[M+NH4]+ 600.27717 241.3
[M+K]+ 621.20651 233.5
[M+H-H2O]+ 565.24061 228.3
[M+HCOO]- 627.24155 243.9
[M+CH3COO]- 641.25720 256.8
[M+Na-2H]- 603.21802 235.2
[M]+ 582.24280 244.2
[M]- 582.24390 244.2
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.