CID 481378

[(4-aminophenyl)sulfonyl](cyclopentylmethyl){4-[(cyclopentylmethyl)(phenylsulfonyl)amino]-3-hydroxybutyl}amine

Structural Information

Molecular Formula
C28H41N3O5S2
SMILES
C1CCC(C1)CN(CCC(CN(CC2CCCC2)S(=O)(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C28H41N3O5S2/c29-25-14-16-28(17-15-25)37(33,34)30(20-23-8-4-5-9-23)19-18-26(32)22-31(21-24-10-6-7-11-24)38(35,36)27-12-2-1-3-13-27/h1-3,12-17,23-24,26,32H,4-11,18-22,29H2
InChIKey
GTUHCJRYDRFYPH-UHFFFAOYSA-N
Compound name
4-amino-N-[4-[benzenesulfonyl(cyclopentylmethyl)amino]-3-hydroxybutyl]-N-(cyclopentylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.2488 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.25608 230.6
[M+Na]+ 586.23802 228.1
[M-H]- 562.24152 240.9
[M+NH4]+ 581.28262 236.9
[M+K]+ 602.21196 225.1
[M+H-H2O]+ 546.24606 223.1
[M+HCOO]- 608.24700 238.4
[M+CH3COO]- 622.26265 252.1
[M+Na-2H]- 584.22347 228.5
[M]+ 563.24825 230.2
[M]- 563.24935 230.2
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.