CID 481234

N-[(2s)-3-[cyclopentylmethyl-[(2-isopropylthiazol-5-yl)methylsulfonyl]amino]-2-hydroxy-propyl]-n-phenethyl-benzamide

Structural Information

Molecular Formula
C31H41N3O4S2
SMILES
CC(C)C1=NC=C(S1)CS(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C31H41N3O4S2/c1-24(2)30-32-19-29(39-30)23-40(37,38)34(20-26-13-9-10-14-26)22-28(35)21-33(18-17-25-11-5-3-6-12-25)31(36)27-15-7-4-8-16-27/h3-8,11-12,15-16,19,24,26,28,35H,9-10,13-14,17-18,20-23H2,1-2H3/t28-/m0/s1
InChIKey
FIRVUKDHWLDGPE-NDEPHWFRSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl-[(2-propan-2-yl-1,3-thiazol-5-yl)methylsulfonyl]amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.25385 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.26113 240.6
[M+Na]+ 606.24307 239.0
[M-H]- 582.24657 251.0
[M+NH4]+ 601.28767 245.6
[M+K]+ 622.21701 235.6
[M+H-H2O]+ 566.25111 232.0
[M+HCOO]- 628.25205 247.8
[M+CH3COO]- 642.26770 256.3
[M+Na-2H]- 604.22852 234.5
[M]+ 583.25330 244.4
[M]- 583.25440 244.4
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.