CID 5276409

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

Structural Information

Molecular Formula
C34H50N4O6S2
SMILES
CCN(C1CCN(CC1)CC[C@@H](C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C(C)C)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C
InChI
InChI=1S/C34H50N4O6S2/c1-5-38(33(39)25-27-11-13-31(14-12-27)45(4,41)42)30-17-20-36(21-18-30)22-19-32(28-9-7-6-8-10-28)35-34(40)29-15-23-37(24-16-29)46(43,44)26(2)3/h6-14,26,29-30,32H,5,15-25H2,1-4H3,(H,35,40)/t32-/m0/s1
InChIKey
BLJAPFIWZQFEDJ-YTTGMZPUSA-N
Compound name
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1-propan-2-ylsulfonylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.3172 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.32448 248.2
[M+Na]+ 697.30642 242.3
[M-H]- 673.30992 253.7
[M+NH4]+ 692.35102 243.4
[M+K]+ 713.28036 238.8
[M+H-H2O]+ 657.31446 237.4
[M+HCOO]- 719.31540 245.1
[M+CH3COO]- 733.33105 274.3
[M+Na-2H]- 695.29187 245.7
[M]+ 674.31665 246.4
[M]- 674.31775 246.4
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.