CID 9677872

4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H17Cl2N3O4
SMILES
CC1=CC=C(C=C1)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/C23H17Cl2N3O4/c1-14-2-7-17(8-3-14)27-21(29)22(30)28-26-13-15-4-9-18(10-5-15)32-23(31)19-11-6-16(24)12-20(19)25/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKey
HDLQRFBPUHKXOS-LGJNPRDNSA-N
Compound name
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.0596 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06688 209.3
[M+Na]+ 492.04882 215.9
[M-H]- 468.05232 219.7
[M+NH4]+ 487.09342 218.3
[M+K]+ 508.02276 210.2
[M+H-H2O]+ 452.05686 200.4
[M+HCOO]- 514.05780 225.6
[M+CH3COO]- 528.07345 239.1
[M+Na-2H]- 490.03427 209.5
[M]+ 469.05905 215.3
[M]- 469.06015 215.3
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.