CID 9665031

477732-24-4

Structural Information

Molecular Formula
C24H18Cl2FN3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H18Cl2FN3O5/c1-2-34-21-11-14(3-10-20(21)35-24(33)18-9-4-15(25)12-19(18)26)13-28-30-23(32)22(31)29-17-7-5-16(27)6-8-17/h3-13H,2H2,1H3,(H,29,31)(H,30,32)/b28-13+
InChIKey
NTYHBZDQNHALFI-XODNFHPESA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.0607 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.06798 215.0
[M+Na]+ 540.04992 227.1
[M+NH4]+ 535.09452 219.0
[M+K]+ 556.02386 219.8
[M-H]- 516.05342 219.1
[M+Na-2H]- 538.03537 222.0
[M]+ 517.06015 218.1
[M]- 517.06125 218.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.