CID 5276412

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

Structural Information

Molecular Formula
C33H48N4O6S2
SMILES
CCN(C1CCN(CC1)CC[C@@H](C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C
InChI
InChI=1S/C33H48N4O6S2/c1-4-37(32(38)25-26-11-13-30(14-12-26)44(3,40)41)29-17-20-35(21-18-29)22-19-31(27-9-7-6-8-10-27)34-33(39)28-15-23-36(24-16-28)45(42,43)5-2/h6-14,28-29,31H,4-5,15-25H2,1-3H3,(H,34,39)/t31-/m0/s1
InChIKey
UNUWQISVSLTEIF-HKBQPEDESA-N
Compound name
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1-ethylsulfonylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.3015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.30878 246.7
[M+Na]+ 683.29072 241.6
[M-H]- 659.29422 252.4
[M+NH4]+ 678.33532 242.6
[M+K]+ 699.26466 237.5
[M+H-H2O]+ 643.29876 235.6
[M+HCOO]- 705.29970 244.9
[M+CH3COO]- 719.31535 270.8
[M+Na-2H]- 681.27617 245.0
[M]+ 660.30095 245.0
[M]- 660.30205 245.0
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.