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]+ 457.071636 206.0
[M+Na]+ 479.053578 214.3
[M-H]- 455.057084 216.6
[M+NH4]+ 474.098183 216.1
[M+K]+ 495.027518 208.3
[M+H-H2O]+ 439.061620 197.0
[M+HCOO]- 501.062561 221.9
[M+CH3COO]- 515.078211 236.2
[M+Na-2H]- 477.039026 206.0
[M]+ 456.06381142 214.2
[M]- 456.06490858 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.