CID 508887

[1,1'-biphenyl]-3-carboxamide, n-[2-[[(3r)-1-[(4-ethylphenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-

Structural Information

Molecular Formula
C28H31N3O2
SMILES
CCC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H31N3O2/c1-2-21-11-13-22(14-12-21)19-31-16-15-26(20-31)30-27(32)18-29-28(33)25-10-6-9-24(17-25)23-7-4-3-5-8-23/h3-14,17,26H,2,15-16,18-20H2,1H3,(H,29,33)(H,30,32)/t26-/m1/s1
InChIKey
AUCRKZJNRTVKGT-AREMUKBSSA-N
Compound name
N-[2-[[(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.24164 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.24892 209.3
[M+Na]+ 464.23086 210.6
[M-H]- 440.23436 219.4
[M+NH4]+ 459.27546 217.0
[M+K]+ 480.20480 204.2
[M+H-H2O]+ 424.23890 197.5
[M+HCOO]- 486.23984 228.7
[M+CH3COO]- 500.25549 235.1
[M+Na-2H]- 462.21631 207.0
[M]+ 441.24109 206.1
[M]- 441.24219 206.1
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.