CID 504298

N-[1-[(2r,4s)-4-hydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₅

SMILES

C1[C@@H](OC[C@]1(CO)O)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O5/c20-9-16(23)8-13(24-10-16)19-7-6-12(18-15(19)22)17-14(21)11-4-2-1-3-5-11/h1-7,13,20,23H,8-10H2,(H,17,18,21,22)/t13-,16+/m1/s1

InChIKey

LMFSKTVIDJEZCH-CJNGLKHVSA-N

Compound name

N-[1-[(2R,4S)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 331.11682 Da
Monoisotopic Mass: -0.6
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]+	332.124096	172.9
[M+Na]+	354.106038	179.5
[M-H]-	330.109544	178.7
[M+NH4]+	349.150643	184.2
[M+K]+	370.079978	176.9
[M+H-H2O]+	314.114080	164.1
[M+HCOO]-	376.115021	190.7
[M+CH3COO]-	390.130671	203.0
[M+Na-2H]-	352.091486	176.3
[M]+	331.11627142	172.0
[M]-	331.11736858	172.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.