CID 481299

[(2s)-4-((cyclopentylmethyl){[(5-methylimidazol-4-yl)methyl]sulfonyl}amino)-2-hydroxybutyl][(4-methoxyphenyl)sulfonyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C26H42N4O6S2
SMILES
CC1=C(N=CN1)CS(=O)(=O)N(CC[C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)CC3CCCC3
InChI
InChI=1S/C26H42N4O6S2/c1-20(2)15-30(38(34,35)25-11-9-24(36-4)10-12-25)17-23(31)13-14-29(16-22-7-5-6-8-22)37(32,33)18-26-21(3)27-19-28-26/h9-12,19-20,22-23,31H,5-8,13-18H2,1-4H3,(H,27,28)/t23-/m0/s1
InChIKey
SJWZFJVMDKBEEK-QHCPKHFHSA-N
Compound name
N-[(2S)-4-[cyclopentylmethyl-[(5-methyl-1H-imidazol-4-yl)methylsulfonyl]amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.2546 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.26188 233.1
[M+Na]+ 593.24382 232.3
[M-H]- 569.24732 238.7
[M+NH4]+ 588.28842 237.2
[M+K]+ 609.21776 230.1
[M+H-H2O]+ 553.25186 225.8
[M+HCOO]- 615.25280 237.9
[M+CH3COO]- 629.26845 251.8
[M+Na-2H]- 591.22927 229.7
[M]+ 570.25405 238.8
[M]- 570.25515 238.8
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.