CID 481343

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

Structural Information

Molecular Formula
C28H40N2O6S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN(CC3CCCC3)S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C28H40N2O6S2/c1-36-26-15-17-28(18-16-26)38(34,35)30(20-24-11-7-8-12-24)22-25(31)21-29(19-23-9-5-6-10-23)37(32,33)27-13-3-2-4-14-27/h2-4,13-18,23-25,31H,5-12,19-22H2,1H3
InChIKey
NBOOLTDIPSZVKA-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.2328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.24008 233.3
[M+Na]+ 587.22202 231.4
[M-H]- 563.22552 244.3
[M+NH4]+ 582.26662 240.0
[M+K]+ 603.19596 229.4
[M+H-H2O]+ 547.23006 226.0
[M+HCOO]- 609.23100 241.0
[M+CH3COO]- 623.24665 249.5
[M+Na-2H]- 585.20747 231.0
[M]+ 564.23225 235.7
[M]- 564.23335 235.7
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.