CID 9638482

4-(2-(3,4-dichlorobenzoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C23H18Cl2N2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O4/c1-2-30-18-10-5-16(6-11-18)23(29)31-19-8-3-15(4-9-19)14-26-27-22(28)17-7-12-20(24)21(25)13-17/h3-14H,2H2,1H3,(H,27,28)/b26-14+
InChIKey
GVVCMFUPHAKNKR-VULFUBBASA-N
Compound name
[4-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
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 205.8
[M+Na]+ 479.05358 213.2
[M-H]- 455.05708 216.0
[M+NH4]+ 474.09818 215.6
[M+K]+ 495.02752 207.1
[M+H-H2O]+ 439.06162 196.6
[M+HCOO]- 501.06256 221.7
[M+CH3COO]- 515.07821 234.9
[M+Na-2H]- 477.03903 206.5
[M]+ 456.06381 213.6
[M]- 456.06491 213.6
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.