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
6
Annotation Hits

134
References

5832
Patents

310.9945 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00178 163.0
[M+Na]+ 333.98372 170.2
[M+NH4]+ 329.02832 162.9
[M+K]+ 349.95766 165.8
[M-H]- 309.98722 153.9
[M+Na-2H]- 331.96917 161.8
[M]+ 310.99395 160.1
[M]- 310.99505 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe