CID 92178677

201983-41-7

Structural Information

Molecular Formula
C28H26N2O5
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C28H26N2O5/c1-34-26-17-22(16-21-9-5-6-10-24(21)26)29-27(32)25(15-19-11-13-23(31)14-12-19)30-28(33)35-18-20-7-3-2-4-8-20/h2-14,16-17,25,31H,15,18H2,1H3,(H,29,32)(H,30,33)/t25-/m0/s1
InChIKey
VOTQPTDYAYBSCM-VWLOTQADSA-N
Compound name
benzyl N-[(2S)-3-(4-hydroxyphenyl)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.18417 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19145 215.4
[M+Na]+ 493.17339 227.8
[M+NH4]+ 488.21799 220.8
[M+K]+ 509.14733 220.3
[M-H]- 469.17689 221.7
[M+Na-2H]- 491.15884 223.5
[M]+ 470.18362 218.8
[M]- 470.18472 218.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.