CID 481179

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

Structural Information

Molecular Formula
C30H38N2O6S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C30H38N2O6S2/c1-38-28-16-18-30(19-17-28)40(36,37)32(22-26-12-8-9-13-26)24-27(33)23-31(21-20-25-10-4-2-5-11-25)39(34,35)29-14-6-3-7-15-29/h2-7,10-11,14-19,26-27,33H,8-9,12-13,20-24H2,1H3
InChIKey
QIUVCNNUPCJXBZ-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(2-phenylethyl)amino]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.2171 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.22438 237.7
[M+Na]+ 609.20632 236.5
[M-H]- 585.20982 248.3
[M+NH4]+ 604.25092 241.3
[M+K]+ 625.18026 233.0
[M+H-H2O]+ 569.21436 228.0
[M+HCOO]- 631.21530 246.3
[M+CH3COO]- 645.23095 254.5
[M+Na-2H]- 607.19177 238.1
[M]+ 586.21655 241.6
[M]- 586.21765 241.6
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.