CID 6872583

494756-72-8

Structural Information

Molecular Formula
C22H17ClN2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17ClN2O4/c1-28-19-11-7-17(8-12-19)22(27)29-20-4-2-3-15(13-20)14-24-25-21(26)16-5-9-18(23)10-6-16/h2-14H,1H3,(H,25,26)/b24-14+
InChIKey
DUSBRUYXQKVZRA-ZVHZXABRSA-N
Compound name
[3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08768 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.094956 195.6
[M+Na]+ 431.076898 202.1
[M-H]- 407.080404 206.4
[M+NH4]+ 426.121503 206.4
[M+K]+ 447.050838 197.1
[M+H-H2O]+ 391.084940 185.6
[M+HCOO]- 453.085881 216.8
[M+CH3COO]- 467.101531 227.1
[M+Na-2H]- 429.062346 198.3
[M]+ 408.08713142 201.0
[M]- 408.08822858 201.0
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.