CID 44564

Lodoxamide

Structural Information

Molecular Formula

C₁₁H₆ClN₃O₆

SMILES

C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N

InChI

InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)

InChIKey

RVGLGHVJXCETIO-UHFFFAOYSA-N

Compound name

2-[2-chloro-5-cyano-3-(oxaloamino)anilino]-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 134
References: 6031
Patents: 310.9945 Da
Monoisotopic Mass: 0.5
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]+	312.00178	169.2
[M+Na]+	333.98372	177.9
[M-H]-	309.98722	170.6
[M+NH4]+	329.02832	181.1
[M+K]+	349.95766	175.4
[M+H-H2O]+	293.99176	157.7
[M+HCOO]-	355.99270	182.7
[M+CH3COO]-	370.00835	212.3
[M+Na-2H]-	331.96917	168.2
[M]+	310.99395	165.3
[M]-	310.99505	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe