CID 6447275

73043-43-3

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O₃

SMILES

CC1=N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N1CCC(=O)O

InChI

InChI=1S/C14H13ClN2O3/c1-9-16-12(8-10-2-4-11(15)5-3-10)14(20)17(9)7-6-13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)/b12-8+

InChIKey

ROWUQBHZOYMZRF-XYOKQWHBSA-N

Compound name

3-[(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.06146 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]+	293.068736	164.3
[M+Na]+	315.050678	174.1
[M-H]-	291.054184	167.5
[M+NH4]+	310.095283	179.3
[M+K]+	331.024618	168.1
[M+H-H2O]+	275.058720	157.1
[M+HCOO]-	337.059661	179.4
[M+CH3COO]-	351.075311	197.4
[M+Na-2H]-	313.036126	163.9
[M]+	292.06091142	166.9
[M]-	292.06200858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.