CID 6931618

58690-81-6

Structural Information

Molecular Formula
C16H16N2O3
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N
InChI
InChI=1S/C16H16N2O3/c17-15(20)14(10-11-6-8-13(19)9-7-11)18-16(21)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,17,20)(H,18,21)/t14-/m0/s1
InChIKey
QYBPBEKJXBRSGI-AWEZNQCLSA-N
Compound name
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

284.1161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.123376 165.6
[M+Na]+ 307.105318 169.5
[M-H]- 283.108824 170.1
[M+NH4]+ 302.149923 178.9
[M+K]+ 323.079258 166.2
[M+H-H2O]+ 267.113360 157.4
[M+HCOO]- 329.114301 187.2
[M+CH3COO]- 343.129951 202.9
[M+Na-2H]- 305.090766 167.5
[M]+ 284.11555142 162.4
[M]- 284.11664858 162.4
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

patents stripe