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]+ 395.175396 194.5
[M+Na]+ 417.157338 196.9
[M-H]- 393.160844 203.5
[M+NH4]+ 412.201943 204.2
[M+K]+ 433.131278 191.0
[M+H-H2O]+ 377.165380 183.6
[M+HCOO]- 439.166321 215.2
[M+CH3COO]- 453.181971 202.5
[M+Na-2H]- 415.142786 198.7
[M]+ 394.16757142 191.9
[M]- 394.16866858 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.