CID 481201

2-[((2s)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)propylamino]-1-phenylethan-1-one

Structural Information

Molecular Formula
C27H38N2O5S
SMILES
CCCN(C[C@@H](CN(CC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC)O)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H38N2O5S/c1-3-17-28(21-27(31)23-11-5-4-6-12-23)19-24(30)20-29(18-22-9-7-8-10-22)35(32,33)26-15-13-25(34-2)14-16-26/h4-6,11-16,22,24,30H,3,7-10,17-21H2,1-2H3/t24-/m0/s1
InChIKey
JLERKFPTHPXXPU-DEOSSOPVSA-N
Compound name
N-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[phenacyl(propyl)amino]propyl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.25015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.25743 222.8
[M+Na]+ 525.23937 221.3
[M-H]- 501.24287 231.4
[M+NH4]+ 520.28397 230.1
[M+K]+ 541.21331 219.2
[M+H-H2O]+ 485.24741 213.1
[M+HCOO]- 547.24835 236.3
[M+CH3COO]- 561.26400 245.6
[M+Na-2H]- 523.22482 218.8
[M]+ 502.24960 226.8
[M]- 502.25070 226.8
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.