CID 9632076

2-methoxy-4-(2-(2-methylbenzoyl)carbohydrazonoyl)phenyl 3,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H18Cl2N2O4
SMILES
CC1=CC=CC=C1C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl)OC
InChI
InChI=1S/C23H18Cl2N2O4/c1-14-5-3-4-6-17(14)22(28)27-26-13-15-7-10-20(21(11-15)30-2)31-23(29)16-8-9-18(24)19(25)12-16/h3-13H,1-2H3,(H,27,28)/b26-13+
InChIKey
BDOKRCNQBSAQBW-LGJNPRDNSA-N
Compound name
[2-methoxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.06436 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.07164 206.0
[M+Na]+ 479.05358 214.3
[M-H]- 455.05708 216.6
[M+NH4]+ 474.09818 216.1
[M+K]+ 495.02752 208.3
[M+H-H2O]+ 439.06162 197.0
[M+HCOO]- 501.06256 221.9
[M+CH3COO]- 515.07821 236.2
[M+Na-2H]- 477.03903 206.0
[M]+ 456.06381 214.2
[M]- 456.06491 214.2
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.