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 208.7
[M+Na]+ 484.18429 210.2
[M-H]- 460.18779 216.8
[M+NH4]+ 479.22889 216.5
[M+K]+ 500.15823 206.7
[M+H-H2O]+ 444.19233 197.8
[M+HCOO]- 506.19327 226.9
[M+CH3COO]- 520.20892 236.6
[M+Na-2H]- 482.16974 207.7
[M]+ 461.19452 208.9
[M]- 461.19562 208.9
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.