CID 9625913

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

Structural Information

Molecular Formula
C23H16Cl3N3O4
SMILES
CC1=C(C=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C23H16Cl3N3O4/c1-13-5-7-16(11-19(13)25)28-21(30)22(31)29-27-12-14-3-2-4-17(9-14)33-23(32)18-8-6-15(24)10-20(18)26/h2-12H,1H3,(H,28,30)(H,29,31)/b27-12+
InChIKey
JIMPANUFPVLTAH-KKMKTNMSSA-N
Compound name
[3-[(E)-[[2-(3-chloro-4-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 214.2
[M+Na]+ 526.00985 221.7
[M-H]- 502.01335 223.6
[M+NH4]+ 521.05445 222.4
[M+K]+ 541.98379 215.6
[M+H-H2O]+ 486.01789 206.3
[M+HCOO]- 548.01883 225.1
[M+CH3COO]- 562.03448 243.9
[M+Na-2H]- 523.99530 212.8
[M]+ 503.02008 221.3
[M]- 503.02118 221.3
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.