CID 481301

((2s)-4-{(cyclopentylmethyl)[(1,3-oxazol-5-ylmethyl)sulfonyl]amino}-2-hydroxybutyl)[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C25H39N3O7S2
SMILES
CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)CC2=CN=CO2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H39N3O7S2/c1-20(2)15-28(37(32,33)25-10-8-23(34-3)9-11-25)17-22(29)12-13-27(16-21-6-4-5-7-21)36(30,31)18-24-14-26-19-35-24/h8-11,14,19-22,29H,4-7,12-13,15-18H2,1-3H3/t22-/m0/s1
InChIKey
JIBCLUIKBAOYKQ-QFIPXVFZSA-N
Compound name
N-[(2S)-4-[cyclopentylmethyl(1,3-oxazol-5-ylmethylsulfonyl)amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.22296 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.23024 231.5
[M+Na]+ 580.21218 230.8
[M-H]- 556.21568 240.0
[M+NH4]+ 575.25678 236.5
[M+K]+ 596.18612 231.0
[M+H-H2O]+ 540.22022 224.5
[M+HCOO]- 602.22116 238.8
[M+CH3COO]- 616.23681 249.8
[M+Na-2H]- 578.19763 229.9
[M]+ 557.22241 239.4
[M]- 557.22351 239.4
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.