CID 481276

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

Structural Information

Molecular Formula
C28H42N4O5S2
SMILES
C1CCC(C1)CN(CC[C@@H](CN(CC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)N)O)S(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C28H42N4O5S2/c29-24-9-13-27(14-10-24)38(34,35)31(19-22-5-1-2-6-22)18-17-26(33)21-32(20-23-7-3-4-8-23)39(36,37)28-15-11-25(30)12-16-28/h9-16,22-23,26,33H,1-8,17-21,29-30H2/t26-/m0/s1
InChIKey
PZABFACDQRRAFM-SANMLTNESA-N
Compound name
4-amino-N-[(3S)-4-[(4-aminophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxybutyl]-N-(cyclopentylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.25964 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.26692 230.3
[M+Na]+ 601.24886 227.4
[M-H]- 577.25236 240.0
[M+NH4]+ 596.29346 235.5
[M+K]+ 617.22280 224.4
[M+H-H2O]+ 561.25690 222.7
[M+HCOO]- 623.25784 238.3
[M+CH3COO]- 637.27349 258.2
[M+Na-2H]- 599.23431 228.5
[M]+ 578.25909 228.7
[M]- 578.26019 228.7
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.