CID 137304912

Pre-pseudomonine

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₄

SMILES

C[C@@H]1[C@H](N=C(O1)C2=CC=CC=C2O)C(=O)N(CCC3=CN=CN3)O

InChI

InChI=1S/C16H18N4O4/c1-10-14(16(22)20(23)7-6-11-8-17-9-18-11)19-15(24-10)12-4-2-3-5-13(12)21/h2-5,8-10,14,21,23H,6-7H2,1H3,(H,17,18)/t10-,14+/m1/s1

InChIKey

VUWQVSPTFMKLPM-YGRLFVJLSA-N

Compound name

(4S,5R)-N-hydroxy-2-(2-hydroxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 330.1328 Da
Monoisotopic Mass: 0.9
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]+	331.140076	174.5
[M+Na]+	353.122018	180.2
[M-H]-	329.125524	179.5
[M+NH4]+	348.166623	184.4
[M+K]+	369.095958	177.9
[M+H-H2O]+	313.130060	165.4
[M+HCOO]-	375.131001	191.9
[M+CH3COO]-	389.146651	205.1
[M+Na-2H]-	351.107466	173.6
[M]+	330.13225142	174.6
[M]-	330.13334858	174.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.