CID 92489435

201983-16-6

Structural Information

Molecular Formula
C26H27N3O5
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C26H27N3O5/c1-33-23-15-20(14-19-10-5-6-11-21(19)23)28-25(31)22-12-7-13-29(22)24(30)16-27-26(32)34-17-18-8-3-2-4-9-18/h2-6,8-11,14-15,22H,7,12-13,16-17H2,1H3,(H,27,32)(H,28,31)/t22-/m0/s1
InChIKey
URYYDWUFEVBVHE-QFIPXVFZSA-N
Compound name
benzyl N-[2-[(2S)-2-[(4-methoxynaphthalen-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.19507 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.20235 211.0
[M+Na]+ 484.18429 220.3
[M+NH4]+ 479.22889 215.7
[M+K]+ 500.15823 216.3
[M-H]- 460.18779 215.4
[M+Na-2H]- 482.16974 216.3
[M]+ 461.19452 213.1
[M]- 461.19562 213.1
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.