CID 481204

N-((2s)-3-{[(3-aminophenyl)sulfonyl](cyclopentylmethyl)amino}-2-hydroxypropyl)-n-(2-phenylethyl)-4-pyridylcarboxamide

Structural Information

Molecular Formula
C29H36N4O4S
SMILES
C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=NC=C3)O)S(=O)(=O)C4=CC=CC(=C4)N
InChI
InChI=1S/C29H36N4O4S/c30-26-11-6-12-28(19-26)38(36,37)33(20-24-9-4-5-10-24)22-27(34)21-32(18-15-23-7-2-1-3-8-23)29(35)25-13-16-31-17-14-25/h1-3,6-8,11-14,16-17,19,24,27,34H,4-5,9-10,15,18,20-22,30H2/t27-/m0/s1
InChIKey
FMUZJIQLJSLVRO-MHZLTWQESA-N
Compound name
N-[(2S)-3-[(3-aminophenyl)sulfonyl-(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.2457 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.25298 224.9
[M+Na]+ 559.23492 223.1
[M-H]- 535.23842 235.0
[M+NH4]+ 554.27952 228.5
[M+K]+ 575.20886 219.6
[M+H-H2O]+ 519.24296 213.8
[M+HCOO]- 581.24390 238.2
[M+CH3COO]- 595.25955 252.1
[M+Na-2H]- 557.22037 223.1
[M]+ 536.24515 224.5
[M]- 536.24625 224.5
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.