CID 9670850

4-(2-(4-methoxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C22H17ClN2O4
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17ClN2O4/c1-28-19-12-6-16(7-13-19)21(26)25-24-14-15-2-10-20(11-3-15)29-22(27)17-4-8-18(23)9-5-17/h2-14H,1H3,(H,25,26)/b24-14+
InChIKey
RXHXMVKBHBVUIL-ZVHZXABRSA-N
Compound name
[4-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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]+ 409.09496 195.6
[M+Na]+ 431.07690 202.1
[M-H]- 407.08040 206.4
[M+NH4]+ 426.12150 206.4
[M+K]+ 447.05084 197.1
[M+H-H2O]+ 391.08494 185.6
[M+HCOO]- 453.08588 216.8
[M+CH3COO]- 467.10153 227.1
[M+Na-2H]- 429.06235 198.3
[M]+ 408.08713 201.0
[M]- 408.08823 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.