CID 588625

Bz-dl-phe-betana

Structural Information

Molecular Formula
C26H22N2O2
SMILES
C1=CC=C(C=C1)CC(C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H22N2O2/c29-25(21-12-5-2-6-13-21)28-24(17-19-9-3-1-4-10-19)26(30)27-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,30)(H,28,29)
InChIKey
UYXGHMPRWWMUID-UHFFFAOYSA-N
Compound name
N-[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16812 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17540 194.5
[M+Na]+ 417.15734 196.9
[M-H]- 393.16084 203.5
[M+NH4]+ 412.20194 204.2
[M+K]+ 433.13128 191.0
[M+H-H2O]+ 377.16538 183.6
[M+HCOO]- 439.16632 215.2
[M+CH3COO]- 453.18197 202.5
[M+Na-2H]- 415.14279 198.7
[M]+ 394.16757 191.9
[M]- 394.16867 191.9
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.