CID 5276410

4-piperidinecarboxamide, n-[(1s)-3-[4-[ethyl[2-[4-(methylsulfonyl)phenyl]acetyl]amino]-1-piperidinyl]-1-phenylpropyl]-1-(methylsulfonyl)-

Structural Information

Molecular Formula
C32H46N4O6S2
SMILES
CCN(C1CCN(CC1)CC[C@@H](C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C
InChI
InChI=1S/C32H46N4O6S2/c1-4-36(31(37)24-25-10-12-29(13-11-25)43(2,39)40)28-16-19-34(20-17-28)21-18-30(26-8-6-5-7-9-26)33-32(38)27-14-22-35(23-15-27)44(3,41)42/h5-13,27-28,30H,4,14-24H2,1-3H3,(H,33,38)/t30-/m0/s1
InChIKey
GYOYEDAXETZXGP-PMERELPUSA-N
Compound name
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1-methylsulfonylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.2859 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.29318 243.2
[M+Na]+ 669.27512 238.6
[M-H]- 645.27862 249.1
[M+NH4]+ 664.31972 239.7
[M+K]+ 685.24906 234.6
[M+H-H2O]+ 629.28316 232.3
[M+HCOO]- 691.28410 241.8
[M+CH3COO]- 705.29975 268.1
[M+Na-2H]- 667.26057 241.9
[M]+ 646.28535 241.2
[M]- 646.28645 241.2
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.