CID 130420

M-cppamp

Structural Information

Molecular Formula

C₁₆H₁₆NO₆P

SMILES

C1=CC=C(C=C1)CC(=O)NCP(=O)(O)OC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16NO6P/c18-15(9-12-5-2-1-3-6-12)17-11-24(21,22)23-14-8-4-7-13(10-14)16(19)20/h1-8,10H,9,11H2,(H,17,18)(H,19,20)(H,21,22)

InChIKey

PQNMYMXNEUQFAJ-UHFFFAOYSA-N

Compound name

3-[hydroxy-[[(2-phenylacetyl)amino]methyl]phosphoryl]oxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 349.07153 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	350.078806	177.9
[M+Na]+	372.060748	181.8
[M-H]-	348.064254	180.4
[M+NH4]+	367.105353	188.7
[M+K]+	388.034688	179.6
[M+H-H2O]+	332.068790	167.6
[M+HCOO]-	394.069731	202.7
[M+CH3COO]-	408.085381	208.0
[M+Na-2H]-	370.046196	178.9
[M]+	349.07098142	179.1
[M]-	349.07207858	179.1

Literature stripe

literature stripe

Patent stripe

patents stripe