CID 9638482

769142-96-3

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]+ 457.071636 205.8
[M+Na]+ 479.053578 213.2
[M-H]- 455.057084 216.0
[M+NH4]+ 474.098183 215.6
[M+K]+ 495.027518 207.1
[M+H-H2O]+ 439.061620 196.6
[M+HCOO]- 501.062561 221.7
[M+CH3COO]- 515.078211 234.9
[M+Na-2H]- 477.039026 206.5
[M]+ 456.06381142 213.6
[M]- 456.06490858 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.