CID 54698215

Wrsiwslnsbrpjt-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₄H₁₅FN₂O₄

SMILES

CN1CC(=C(C1=O)O)C(=O)N(CC2=CC(=CC=C2)F)OC

InChI

InChI=1S/C14H15FN2O4/c1-16-8-11(12(18)14(16)20)13(19)17(21-2)7-9-4-3-5-10(15)6-9/h3-6,18H,7-8H2,1-2H3

InChIKey

WRSIWSLNSBRPJT-UHFFFAOYSA-N

Compound name

N-[(3-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 294.1016 Da
Monoisotopic Mass: 1.1
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]+	295.108876	163.3
[M+Na]+	317.090818	171.2
[M-H]-	293.094324	168.1
[M+NH4]+	312.135423	178.9
[M+K]+	333.064758	169.3
[M+H-H2O]+	277.098860	154.8
[M+HCOO]-	339.099801	184.9
[M+CH3COO]-	353.115451	205.0
[M+Na-2H]-	315.076266	162.8
[M]+	294.10105142	165.0
[M]-	294.10214858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe