CID 9679367

4-(2-((3-cl-2-methylanilino)(oxo)ac)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H16Cl3N3O4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H16Cl3N3O4/c1-13-18(25)3-2-4-20(13)28-21(30)22(31)29-27-12-14-5-8-16(9-6-14)33-23(32)17-10-7-15(24)11-19(17)26/h2-12H,1H3,(H,28,30)(H,29,31)/b27-12+
InChIKey
ASARIPFVLXWAQV-KKMKTNMSSA-N
Compound name
[4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.02063 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.02791 214.3
[M+Na]+ 526.00985 228.4
[M+NH4]+ 521.05445 219.9
[M+K]+ 541.98379 219.7
[M-H]- 502.01335 220.0
[M+Na-2H]- 523.99530 222.1
[M]+ 503.02008 218.6
[M]- 503.02118 218.6
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.