CID 54698217

Mbgarccekklfjc-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₄

SMILES

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

InChI

InChI=1S/C14H15ClN2O4/c1-16-8-11(12(18)14(16)20)13(19)17(21-2)7-9-3-5-10(15)6-4-9/h3-6,18H,7-8H2,1-2H3

InChIKey

MBGARCCEKKLFJC-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)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: 310.07202 Da
Monoisotopic Mass: 1.6
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]+	311.079296	167.4
[M+Na]+	333.061238	176.0
[M-H]-	309.064744	173.5
[M+NH4]+	328.105843	183.4
[M+K]+	349.035178	172.8
[M+H-H2O]+	293.069280	160.6
[M+HCOO]-	355.070221	185.5
[M+CH3COO]-	369.085871	206.0
[M+Na-2H]-	331.046686	167.1
[M]+	310.07147142	172.3
[M]-	310.07256858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe