CID 40915

Lodoxamide ethyl

Structural Information

Molecular Formula
C15H14ClN3O6
SMILES
CCOC(=O)C(=O)NC1=CC(=CC(=C1Cl)NC(=O)C(=O)OCC)C#N
InChI
InChI=1S/C15H14ClN3O6/c1-3-24-14(22)12(20)18-9-5-8(7-17)6-10(11(9)16)19-13(21)15(23)25-4-2/h5-6H,3-4H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
BNTAPIYHWPPFBW-UHFFFAOYSA-N
Compound name
ethyl 2-[2-chloro-5-cyano-3-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

73
References

460
Patents

367.0571 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.064376 182.8
[M+Na]+ 390.046318 191.0
[M-H]- 366.049824 186.1
[M+NH4]+ 385.090923 194.2
[M+K]+ 406.020258 189.0
[M+H-H2O]+ 350.054360 170.2
[M+HCOO]- 412.055301 197.9
[M+CH3COO]- 426.070951 225.5
[M+Na-2H]- 388.031766 181.3
[M]+ 367.05655142 183.5
[M]- 367.05764858 183.5
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